 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer02_STD_M11_def2SVPD.in
 Output=31_naproxen_conformer02_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/31_conformer02/Gau-108881.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/31_conformer02/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    108885.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                17-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer02_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Tue Aug 17 18:12:58 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer02_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.615023000000      0.729781000000     -0.120185000000
  C                                                 1.174818000000     -0.568179000000     -0.283542000000
  C                                                -0.780302000000      0.906987000000     -0.261681000000
  C                                                -1.617220000000     -0.146278000000     -0.555082000000
  C                                                -1.047135000000     -1.433774000000     -0.715027000000
  C                                                 0.299785000000     -1.638621000000     -0.586238000000
  C                                                 1.486810000000      1.806637000000      0.177553000000
  H                                                -1.178331000000      1.906903000000     -0.143779000000
  H                                                -1.698736000000     -2.268417000000     -0.944366000000
  H                                                 0.712660000000     -2.631458000000     -0.716974000000
  C                                                -3.119636000000     -0.001144000000     -0.656452000000
  C                                                -3.609136000000      1.393587000000     -1.071585000000
  C                                                -3.848641000000     -0.385756000000      0.641287000000
  H                                                -3.484147000000     -0.716442000000     -1.395606000000
  H                                                -3.143214000000      1.693230000000     -2.010455000000
  H                                                -3.376132000000      2.146319000000     -0.317339000000
  H                                                -4.689812000000      1.377587000000     -1.202459000000
  O                                                -4.992051000000     -0.744475000000      0.660385000000
  O                                                -3.149570000000     -0.248062000000      1.788254000000
  H                                                -2.231771000000     -0.009601000000      1.581011000000
  C                                                 2.830377000000      1.609633000000      0.308486000000
  C                                                 3.384420000000      0.315464000000      0.146592000000
  C                                                 2.571198000000     -0.754342000000     -0.144922000000
  O                                                 4.730828000000      0.251048000000      0.301729000000
  C                                                 5.361258000000     -1.010989000000      0.156412000000
  H                                                 1.070645000000      2.798805000000      0.302176000000
  H                                                 3.502511000000      2.425784000000      0.536445000000
  H                                                 2.973183000000     -1.748599000000     -0.273266000000
  H                                                 6.421812000000     -0.837666000000      0.319337000000
  H                                                 5.207672000000     -1.416612000000     -0.847613000000
  H                                                 4.990297000000     -1.725949000000      0.896247000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Tue Aug 17 18:12:58 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.615023    0.729781   -0.120185
      2          6           0        1.174818   -0.568179   -0.283542
      3          6           0       -0.780302    0.906987   -0.261681
      4          6           0       -1.617220   -0.146278   -0.555082
      5          6           0       -1.047135   -1.433774   -0.715027
      6          6           0        0.299785   -1.638621   -0.586238
      7          6           0        1.486810    1.806637    0.177553
      8          1           0       -1.178331    1.906903   -0.143779
      9          1           0       -1.698736   -2.268417   -0.944366
     10          1           0        0.712660   -2.631458   -0.716974
     11          6           0       -3.119636   -0.001144   -0.656452
     12          6           0       -3.609136    1.393587   -1.071585
     13          6           0       -3.848641   -0.385756    0.641287
     14          1           0       -3.484147   -0.716442   -1.395606
     15          1           0       -3.143214    1.693230   -2.010455
     16          1           0       -3.376132    2.146319   -0.317339
     17          1           0       -4.689812    1.377587   -1.202459
     18          8           0       -4.992051   -0.744475    0.660385
     19          8           0       -3.149570   -0.248062    1.788254
     20          1           0       -2.231771   -0.009601    1.581011
     21          6           0        2.830377    1.609633    0.308486
     22          6           0        3.384420    0.315464    0.146592
     23          6           0        2.571198   -0.754342   -0.144922
     24          8           0        4.730828    0.251048    0.301729
     25          6           0        5.361258   -1.010989    0.156412
     26          1           0        1.070645    2.798805    0.302176
     27          1           0        3.502511    2.425784    0.536445
     28          1           0        2.973183   -1.748599   -0.273266
     29          1           0        6.421812   -0.837666    0.319337
     30          1           0        5.207672   -1.416612   -0.847613
     31          1           0        4.990297   -1.725949    0.896247
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.422939   0.000000
     3  C    1.413632   2.449303   0.000000
     4  C    2.437114   2.836761   1.376911   0.000000
     5  C    2.792414   2.423326   2.399142   1.417119   0.000000
     6  C    2.434319   1.415328   2.784249   2.429602   1.368482
     7  C    1.417138   2.439200   2.478325   3.739737   4.209256
     8  H    2.145295   3.418022   1.082663   2.139473   3.391705
     9  H    3.875816   3.403647   3.375318   2.159088   1.083425
    10  H    3.415204   2.158373   3.867405   3.410377   2.128692
    11  C    3.843112   4.347750   2.540281   1.512810   2.520143
    12  C    4.380562   5.230273   2.982453   2.570153   3.832095
    13  C    4.663535   5.111138   3.449817   2.543204   3.284260
    14  H    4.530061   4.792142   3.351430   2.125320   2.629977
    15  H    4.315750   5.171228   3.042982   2.798313   3.981185
    16  H    4.239666   5.299131   2.877043   2.899361   4.289458
    17  H    5.452728   6.246943   4.048555   3.490284   4.627141
    18  O    5.849957   6.241182   4.616965   3.636576   4.234295
    19  O    4.332491   4.805741   3.339132   2.801728   3.477436
    20  H    3.397792   3.923444   2.518414   2.226937   2.950156
    21  C    2.421919   2.798971   3.722339   4.859022   5.034382
    22  C    2.812897   2.418301   4.226286   5.071682   4.841580
    23  C    2.455576   1.415539   3.742486   4.252155   3.725450
    24  O    4.164979   3.695792   5.578552   6.417921   6.103874
    25  C    5.062957   4.232720   6.447650   7.067751   6.481177
    26  H    2.160287   3.419137   2.706088   4.078360   4.840911
    27  H    3.412503   3.879993   4.613701   5.832545   6.096036
    28  H    3.424430   2.151189   4.597926   4.870180   4.056750
    29  H    6.030661   5.288387   7.433158   8.115951   7.563757
    30  H    5.121385   4.159558   6.449671   6.948271   6.256236
    31  H    5.119254   4.158150   6.447710   6.947014   6.255570
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723199   0.000000
     8  H    3.866696   2.686314   0.000000
     9  H    2.125790   5.292681   4.283113   0.000000
    10  H    1.083182   4.593057   4.949861   2.449150   0.000000
    11  C    3.791926   5.018265   2.769863   2.691167   4.648517
    12  C    4.970866   5.263043   2.652005   4.132322   5.916473
    13  C    4.503990   5.786940   3.605991   3.268149   5.262463
    14  H    3.977893   5.792337   3.710229   2.408306   4.662726
    15  H    4.998386   5.122242   2.718621   4.349449   5.936648
    16  H    5.283034   4.899848   2.217605   4.764107   6.301197
    17  H    5.862876   6.343436   3.705601   4.722975   6.744986
    18  O    5.509727   6.979752   4.713910   3.967814   6.164540
    19  O    4.412473   5.320918   3.501772   3.695127   5.183972
    20  H    3.709373   4.369927   2.785251   3.429855   4.563392
    21  C    4.213737   1.364231   4.045078   6.092764   4.850067
    22  C    3.724307   2.413603   4.841042   5.805610   4.070430
    23  C    2.477100   2.799732   4.597955   4.600421   2.702771
    24  O    4.898314   3.599851   6.152926   7.017104   5.048987
    25  C    5.154024   4.790700   7.167317   7.255091   4.999819
    26  H    4.590670   1.083107   2.460134   5.907629   5.536657
    27  H    5.295022   2.138971   4.758385   7.161096   5.910163
    28  H    2.693901   3.879722   5.533040   4.748412   2.467039
    29  H    6.240257   5.600597   8.093782   8.341900   6.073388
    30  H    4.919854   5.028431   7.233406   6.959411   4.658117
    31  H    4.919989   5.026938   7.234033   6.958828   4.660537
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.535324   0.000000
    13  C    1.537368   2.481402   0.000000
    14  H    1.091269   2.138419   2.095505   0.000000
    15  H    2.169051   1.090113   3.442607   2.510138   0.000000
    16  H    2.189152   1.090772   2.748387   3.061001   1.768101
    17  H    2.159740   1.088689   2.686326   2.424024   1.773261
    18  O    2.406769   3.079526   1.198512   2.549835   4.061279
    19  O    2.457326   3.329398   1.350257   3.235473   4.266010
    20  H    2.407201   3.301869   1.907575   3.305801   4.077866
    21  C    6.239260   6.589279   6.978654   6.941741   6.408453
    22  C    6.561087   7.180260   7.283791   7.114803   7.011497
    23  C    5.763208   6.608240   6.478296   6.183272   6.490403
    24  O    7.912743   8.529149   8.609768   8.444098   8.332264
    25  C    8.579400   9.367920   9.243823   8.985361   9.183363
    26  H    5.130023   5.075648   5.869906   5.998796   4.932258
    27  H    7.153028   7.363879   7.871162   7.900620   7.154649
    28  H    6.350029   7.337409   7.016483   6.634916   7.230099
    29  H    9.627625  10.369815  10.285430  10.054041  10.164796
    30  H    8.448914   9.256537   9.235599   8.737176   8.986691
    31  H    8.435451   9.357036   8.943598   8.836736   9.289440
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760722   0.000000
    18  O    3.453090   2.839839   0.000000
    19  O    3.196547   3.736234   2.216585   0.000000
    20  H    3.092133   3.964084   3.001123   0.970654   0.000000
    21  C    6.261026   7.673985   8.176554   6.434323   5.465033
    22  C    7.019425   8.254772   8.458884   6.760595   5.805586
    23  C    6.619237   7.641058   7.606008   6.059759   5.157712
    24  O    8.348539   9.606255   9.780290   8.034895   7.083946
    25  C    9.302420  10.419973  10.368993   8.699377   7.790144
    26  H    4.536889   6.121001   7.031318   5.413136   4.519791
    27  H    6.937058   8.440181   9.067717   7.277820   6.316978
    28  H    7.448901   8.328141   8.082383   6.632464   5.792582
    29  H   10.262029  11.432034  11.419337   9.701376   8.784191
    30  H    9.308993  10.290464  10.332482   8.840633   7.951302
    31  H    9.298623  10.379837  10.033254   8.320893   7.454731
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.417056   0.000000
    23  C    2.420977   1.375062   0.000000
    24  O    2.336132   1.356846   2.423697   0.000000
    25  C    3.646388   2.380643   2.817997   1.418202   0.000000
    26  H    2.123871   3.397756   3.882835   4.459597   5.739785
    27  H    1.081588   2.149275   3.383017   2.508651   3.925656
    28  H    3.411239   2.146102   1.080098   2.723697   2.536059
    29  H    4.346009   3.253506   3.879395   2.011227   1.086904
    30  H    4.018240   2.704215   2.807734   2.080735   1.093702
    31  H    4.017067   2.703367   2.807150   2.080695   1.093680
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.471437   0.000000
    28  H    4.962829   4.285008   0.000000
    29  H    6.469869   4.384012   3.615801   0.000000
    30  H    6.017204   4.425743   2.330886   1.780755   0.000000
    31  H    6.015812   4.424913   2.331742   1.780760   1.784374
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.80D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.615023    0.729781   -0.120185
      2          6           0        1.174818   -0.568179   -0.283542
      3          6           0       -0.780302    0.906987   -0.261681
      4          6           0       -1.617220   -0.146278   -0.555082
      5          6           0       -1.047135   -1.433774   -0.715027
      6          6           0        0.299785   -1.638621   -0.586238
      7          6           0        1.486810    1.806637    0.177553
      8          1           0       -1.178331    1.906903   -0.143779
      9          1           0       -1.698736   -2.268417   -0.944366
     10          1           0        0.712660   -2.631458   -0.716974
     11          6           0       -3.119636   -0.001144   -0.656452
     12          6           0       -3.609136    1.393587   -1.071585
     13          6           0       -3.848641   -0.385756    0.641287
     14          1           0       -3.484147   -0.716442   -1.395606
     15          1           0       -3.143214    1.693230   -2.010455
     16          1           0       -3.376132    2.146319   -0.317339
     17          1           0       -4.689812    1.377587   -1.202459
     18          8           0       -4.992051   -0.744475    0.660385
     19          8           0       -3.149570   -0.248062    1.788254
     20          1           0       -2.231771   -0.009601    1.581011
     21          6           0        2.830377    1.609633    0.308486
     22          6           0        3.384420    0.315464    0.146592
     23          6           0        2.571198   -0.754342   -0.144922
     24          8           0        4.730828    0.251048    0.301729
     25          6           0        5.361258   -1.010989    0.156412
     26          1           0        1.070645    2.798805    0.302176
     27          1           0        3.502511    2.425784    0.536445
     28          1           0        2.973183   -1.748599   -0.273266
     29          1           0        6.421812   -0.837666    0.319337
     30          1           0        5.207672   -1.416612   -0.847613
     31          1           0        4.990297   -1.725949    0.896247
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3776815           0.2086420           0.1975031
 Leave Link  202 at Tue Aug 17 18:12:58 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   461 symmetry adapted basis functions of A   symmetry.
   461 basis functions,   693 primitive gaussians,   495 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1136.4081582636 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Tue Aug 17 18:12:59 2021, MaxMem=  5368709120 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   461 RedAO= T EigKep=  4.34D-06  NBF=   461
 NBsUse=   461 1.00D-06 EigRej= -1.00D+00 NBFU=   461
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   493   493   493   493 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Tue Aug 17 18:12:59 2021, MaxMem=  5368709120 cpu:               4.2 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Tue Aug 17 18:13:00 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer02_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Tue Aug 17 18:13:00 2021, MaxMem=  5368709120 cpu:               4.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368210351 LenY=  5367964831
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -766.607050623035    
 DIIS: error= 4.40D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -766.607050623035     IErMin= 1 ErrMin= 4.40D-03
 ErrMax= 4.40D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.01D-02 BMatP= 3.01D-02
 IDIUse=3 WtCom= 9.56D-01 WtEn= 4.40D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.323 Goal=   None    Shift=    0.000
 GapD=    0.323 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.41D-02 MaxDP=7.49D-01              OVMax= 2.21D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.38D-02    CP:  1.09D+00
 E= -766.638276565753     Delta-E=       -0.031225942718 Rises=F Damp=F
 DIIS: error= 1.17D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -766.638276565753     IErMin= 2 ErrMin= 1.17D-03
 ErrMax= 1.17D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-03 BMatP= 3.01D-02
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.17D-02
 Coeff-Com: -0.426D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.421D-02 0.100D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=3.00D-03 MaxDP=1.84D-01 DE=-3.12D-02 OVMax= 1.15D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.50D-03    CP:  1.15D+00  1.13D+00
 E= -766.639404930339     Delta-E=       -0.001128364586 Rises=F Damp=F
 DIIS: error= 9.16D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -766.639404930339     IErMin= 3 ErrMin= 9.16D-04
 ErrMax= 9.16D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-03 BMatP= 1.54D-03
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.16D-03
 Coeff-Com: -0.622D-01 0.493D+00 0.570D+00
 Coeff-En:   0.000D+00 0.487D-01 0.951D+00
 Coeff:     -0.617D-01 0.488D+00 0.573D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=3.62D-04 MaxDP=2.45D-02 DE=-1.13D-03 OVMax= 4.73D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.93D-04    CP:  1.15D+00  1.15D+00  1.07D+00
 E= -766.640242806548     Delta-E=       -0.000837876209 Rises=F Damp=F
 DIIS: error= 1.58D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -766.640242806548     IErMin= 4 ErrMin= 1.58D-04
 ErrMax= 1.58D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.75D-05 BMatP= 1.26D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.58D-03
 Coeff-Com: -0.151D-01 0.396D-01 0.148D+00 0.828D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.151D-01 0.395D-01 0.148D+00 0.828D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=1.18D-04 MaxDP=6.73D-03 DE=-8.38D-04 OVMax= 1.45D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.11D-04    CP:  1.15D+00  1.15D+00  1.09D+00  1.03D+00
 E= -766.640283319366     Delta-E=       -0.000040512818 Rises=F Damp=F
 DIIS: error= 5.38D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -766.640283319366     IErMin= 5 ErrMin= 5.38D-05
 ErrMax= 5.38D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.38D-06 BMatP= 3.75D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.153D-02-0.385D-01-0.168D-01 0.297D+00 0.757D+00
 Coeff:      0.153D-02-0.385D-01-0.168D-01 0.297D+00 0.757D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=4.57D-05 MaxDP=2.14D-03 DE=-4.05D-05 OVMax= 7.63D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.28D-05    CP:  1.15D+00  1.14D+00  1.10D+00  1.08D+00  1.10D+00
 E= -766.640290660514     Delta-E=       -0.000007341148 Rises=F Damp=F
 DIIS: error= 2.39D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -766.640290660514     IErMin= 6 ErrMin= 2.39D-05
 ErrMax= 2.39D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-06 BMatP= 6.38D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.232D-02-0.219D-01-0.246D-01 0.501D-01 0.346D+00 0.648D+00
 Coeff:      0.232D-02-0.219D-01-0.246D-01 0.501D-01 0.346D+00 0.648D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=1.41D-05 MaxDP=6.88D-04 DE=-7.34D-06 OVMax= 2.84D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.01D-05    CP:  1.15D+00  1.14D+00  1.10D+00  1.07D+00  1.16D+00
                    CP:  1.18D+00
 E= -766.640291945011     Delta-E=       -0.000001284496 Rises=F Damp=F
 DIIS: error= 1.07D-05 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -766.640291945011     IErMin= 7 ErrMin= 1.07D-05
 ErrMax= 1.07D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-07 BMatP= 1.17D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.462D-03-0.325D-03-0.502D-02-0.362D-01-0.236D-01 0.190D+00
 Coeff-Com:  0.875D+00
 Coeff:      0.462D-03-0.325D-03-0.502D-02-0.362D-01-0.236D-01 0.190D+00
 Coeff:      0.875D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=9.26D-06 MaxDP=3.36D-04 DE=-1.28D-06 OVMax= 2.24D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.41D-06    CP:  1.15D+00  1.14D+00  1.10D+00  1.07D+00  1.20D+00
                    CP:  1.28D+00  1.44D+00
 E= -766.640292214373     Delta-E=       -0.000000269362 Rises=F Damp=F
 DIIS: error= 3.55D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -766.640292214373     IErMin= 8 ErrMin= 3.55D-06
 ErrMax= 3.55D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.70D-08 BMatP= 1.12D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.197D-03 0.297D-02 0.231D-02-0.167D-01-0.539D-01-0.508D-01
 Coeff-Com:  0.226D+00 0.890D+00
 Coeff:     -0.197D-03 0.297D-02 0.231D-02-0.167D-01-0.539D-01-0.508D-01
 Coeff:      0.226D+00 0.890D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=3.29D-06 MaxDP=1.15D-04 DE=-2.69D-07 OVMax= 1.18D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.66D-06    CP:  1.15D+00  1.14D+00  1.10D+00  1.07D+00  1.21D+00
                    CP:  1.33D+00  1.54D+00  1.29D+00
 E= -766.640292262305     Delta-E=       -0.000000047932 Rises=F Damp=F
 DIIS: error= 1.84D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -766.640292262305     IErMin= 9 ErrMin= 1.84D-06
 ErrMax= 1.84D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.51D-09 BMatP= 1.70D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.145D-03 0.124D-02 0.181D-02-0.121D-02-0.176D-01-0.543D-01
 Coeff-Com: -0.523D-01 0.389D+00 0.733D+00
 Coeff:     -0.145D-03 0.124D-02 0.181D-02-0.121D-02-0.176D-01-0.543D-01
 Coeff:     -0.523D-01 0.389D+00 0.733D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=1.48D-06 MaxDP=5.65D-05 DE=-4.79D-08 OVMax= 4.58D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.36D-07    CP:  1.15D+00  1.14D+00  1.10D+00  1.07D+00  1.21D+00
                    CP:  1.34D+00  1.61D+00  1.37D+00  1.17D+00
 E= -766.640292271290     Delta-E=       -0.000000008985 Rises=F Damp=F
 DIIS: error= 4.99D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -766.640292271290     IErMin=10 ErrMin= 4.99D-07
 ErrMax= 4.99D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.39D-10 BMatP= 4.51D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.879D-05-0.136D-03 0.120D-03 0.212D-02 0.424D-02-0.436D-02
 Coeff-Com: -0.450D-01-0.520D-01 0.125D+00 0.970D+00
 Coeff:     -0.879D-05-0.136D-03 0.120D-03 0.212D-02 0.424D-02-0.436D-02
 Coeff:     -0.450D-01-0.520D-01 0.125D+00 0.970D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=6.09D-07 MaxDP=1.87D-05 DE=-8.98D-09 OVMax= 2.21D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.71D-07    CP:  1.15D+00  1.14D+00  1.10D+00  1.07D+00  1.21D+00
                    CP:  1.34D+00  1.63D+00  1.42D+00  1.28D+00  1.22D+00
 E= -766.640292272533     Delta-E=       -0.000000001243 Rises=F Damp=F
 DIIS: error= 2.20D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -766.640292272533     IErMin=11 ErrMin= 2.20D-07
 ErrMax= 2.20D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.71D-11 BMatP= 3.39D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.202D-04-0.256D-03-0.243D-03 0.103D-02 0.445D-02 0.685D-02
 Coeff-Com: -0.960D-02-0.765D-01-0.705D-01 0.377D+00 0.767D+00
 Coeff:      0.202D-04-0.256D-03-0.243D-03 0.103D-02 0.445D-02 0.685D-02
 Coeff:     -0.960D-02-0.765D-01-0.705D-01 0.377D+00 0.767D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=2.26D-07 MaxDP=7.16D-06 DE=-1.24D-09 OVMax= 7.29D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.51D-07    CP:  1.15D+00  1.14D+00  1.10D+00  1.07D+00  1.21D+00
                    CP:  1.34D+00  1.63D+00  1.43D+00  1.31D+00  1.33D+00
                    CP:  1.13D+00
 E= -766.640292272765     Delta-E=       -0.000000000232 Rises=F Damp=F
 DIIS: error= 8.19D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -766.640292272765     IErMin=12 ErrMin= 8.19D-08
 ErrMax= 8.19D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.05D-12 BMatP= 8.71D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.623D-05-0.465D-04-0.779D-04-0.291D-04 0.517D-03 0.245D-02
 Coeff-Com:  0.376D-02-0.112D-01-0.399D-01-0.341D-01 0.196D+00 0.882D+00
 Coeff:      0.623D-05-0.465D-04-0.779D-04-0.291D-04 0.517D-03 0.245D-02
 Coeff:      0.376D-02-0.112D-01-0.399D-01-0.341D-01 0.196D+00 0.882D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=1.08D-07 MaxDP=4.39D-06 DE=-2.32D-10 OVMax= 3.72D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.87D-08    CP:  1.15D+00  1.14D+00  1.10D+00  1.07D+00  1.21D+00
                    CP:  1.34D+00  1.64D+00  1.43D+00  1.32D+00  1.38D+00
                    CP:  1.23D+00  1.13D+00
 E= -766.640292272791     Delta-E=       -0.000000000025 Rises=F Damp=F
 DIIS: error= 4.28D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -766.640292272791     IErMin=13 ErrMin= 4.28D-08
 ErrMax= 4.28D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.70D-12 BMatP= 9.05D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.105D-05 0.228D-04 0.128D-04-0.148D-03-0.473D-03-0.256D-03
 Coeff-Com:  0.221D-02 0.797D-02-0.231D-02-0.598D-01-0.605D-01 0.234D+00
 Coeff-Com:  0.879D+00
 Coeff:     -0.105D-05 0.228D-04 0.128D-04-0.148D-03-0.473D-03-0.256D-03
 Coeff:      0.221D-02 0.797D-02-0.231D-02-0.598D-01-0.605D-01 0.234D+00
 Coeff:      0.879D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=4.44D-08 MaxDP=1.81D-06 DE=-2.55D-11 OVMax= 1.85D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  2.48D-08    CP:  1.15D+00  1.14D+00  1.10D+00  1.07D+00  1.21D+00
                    CP:  1.34D+00  1.64D+00  1.43D+00  1.32D+00  1.39D+00
                    CP:  1.28D+00  1.20D+00  1.19D+00
 E= -766.640292272841     Delta-E=       -0.000000000051 Rises=F Damp=F
 DIIS: error= 2.29D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -766.640292272841     IErMin=14 ErrMin= 2.29D-08
 ErrMax= 2.29D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.88D-13 BMatP= 1.70D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.142D-05 0.134D-04 0.184D-04-0.235D-04-0.192D-03-0.554D-03
 Coeff-Com: -0.430D-03 0.389D-02 0.736D-02-0.257D-02-0.533D-01-0.152D+00
 Coeff-Com:  0.183D+00 0.101D+01
 Coeff:     -0.142D-05 0.134D-04 0.184D-04-0.235D-04-0.192D-03-0.554D-03
 Coeff:     -0.430D-03 0.389D-02 0.736D-02-0.257D-02-0.533D-01-0.152D+00
 Coeff:      0.183D+00 0.101D+01
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=2.54D-08 MaxDP=9.27D-07 DE=-5.07D-11 OVMax= 1.25D-06

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  1.18D-08    CP:  1.15D+00  1.14D+00  1.10D+00  1.07D+00  1.21D+00
                    CP:  1.34D+00  1.64D+00  1.43D+00  1.31D+00  1.40D+00
                    CP:  1.29D+00  1.23D+00  1.46D+00  1.23D+00
 E= -766.640292272802     Delta-E=        0.000000000040 Rises=F Damp=F
 DIIS: error= 9.97D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=14 EnMin= -766.640292272841     IErMin=15 ErrMin= 9.97D-09
 ErrMax= 9.97D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.36D-14 BMatP= 3.88D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.736D-07-0.230D-05 0.869D-06 0.278D-04 0.725D-04-0.603D-04
 Coeff-Com: -0.616D-03-0.106D-02 0.208D-02 0.143D-01 0.314D-02-0.955D-01
 Coeff-Com: -0.160D+00 0.216D+00 0.102D+01
 Coeff:     -0.736D-07-0.230D-05 0.869D-06 0.278D-04 0.725D-04-0.603D-04
 Coeff:     -0.616D-03-0.106D-02 0.208D-02 0.143D-01 0.314D-02-0.955D-01
 Coeff:     -0.160D+00 0.216D+00 0.102D+01
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=1.13D-08 MaxDP=3.40D-07 DE= 3.96D-11 OVMax= 6.18D-07

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  4.92D-09    CP:  1.15D+00  1.14D+00  1.10D+00  1.07D+00  1.21D+00
                    CP:  1.34D+00  1.64D+00  1.43D+00  1.31D+00  1.40D+00
                    CP:  1.29D+00  1.24D+00  1.57D+00  1.45D+00  1.29D+00
 E= -766.640292272842     Delta-E=       -0.000000000040 Rises=F Damp=F
 DIIS: error= 2.98D-09 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -766.640292272842     IErMin=16 ErrMin= 2.98D-09
 ErrMax= 2.98D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-14 BMatP= 7.36D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.247D-06-0.311D-05-0.334D-05 0.124D-04 0.602D-04 0.878D-04
 Coeff-Com: -0.790D-04-0.104D-02-0.744D-03 0.448D-02 0.113D-01 0.438D-03
 Coeff-Com: -0.709D-01-0.127D+00 0.265D+00 0.918D+00
 Coeff:      0.247D-06-0.311D-05-0.334D-05 0.124D-04 0.602D-04 0.878D-04
 Coeff:     -0.790D-04-0.104D-02-0.744D-03 0.448D-02 0.113D-01 0.438D-03
 Coeff:     -0.709D-01-0.127D+00 0.265D+00 0.918D+00
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=4.41D-09 MaxDP=1.56D-07 DE=-3.98D-11 OVMax= 1.91D-07

 SCF Done:  E(RM11) =  -766.640292273     A.U. after   16 cycles
            NFock= 16  Conv=0.44D-08     -V/T= 2.0115
 KE= 7.579099418761D+02 PE=-4.053868902112D+03 EE= 1.392910509700D+03
 Leave Link  502 at Tue Aug 17 18:20:49 2021, MaxMem=  5368709120 cpu:            3739.7 elap:             468.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   461
 NBasis=   461 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    461 NOA=    61 NOB=    61 NVA=   400 NVB=   400

 **** Warning!!: The largest alpha MO coefficient is  0.58575928D+02

 Leave Link  801 at Tue Aug 17 18:20:50 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9491 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D+00 4.79D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.07D-13 8.33D-09 XBig12= 1.94D-01 1.01D-01.
     11 vectors produced by pass  2 Test12= 4.07D-13 8.33D-09 XBig12= 4.64D-02 9.17D-02.
     11 vectors produced by pass  3 Test12= 4.07D-13 8.33D-09 XBig12= 5.71D-03 3.04D-02.
     11 vectors produced by pass  4 Test12= 4.07D-13 8.33D-09 XBig12= 1.09D-03 1.01D-02.
     11 vectors produced by pass  5 Test12= 4.07D-13 8.33D-09 XBig12= 1.47D-04 3.37D-03.
     11 vectors produced by pass  6 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D-05 9.13D-04.
     11 vectors produced by pass  7 Test12= 4.07D-13 8.33D-09 XBig12= 4.31D-07 1.00D-04.
     11 vectors produced by pass  8 Test12= 4.07D-13 8.33D-09 XBig12= 1.90D-08 2.21D-05.
     11 vectors produced by pass  9 Test12= 4.07D-13 8.33D-09 XBig12= 8.99D-10 5.41D-06.
     11 vectors produced by pass 10 Test12= 4.07D-13 8.33D-09 XBig12= 3.30D-11 1.01D-06.
      8 vectors produced by pass 11 Test12= 4.07D-13 8.33D-09 XBig12= 1.23D-12 1.85D-07.
      6 vectors produced by pass 12 Test12= 4.07D-13 8.33D-09 XBig12= 1.46D-13 2.49D-08.
      1 vectors produced by pass 13 Test12= 4.07D-13 8.33D-09 XBig12= 1.45D-13 1.99D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 6.39D-14
 Solved reduced A of dimension   136 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.290887D+03
      2  0.795368D+01  0.171705D+03
      3  0.152488D+02  0.845508D+01  0.118075D+03
 Isotropic polarizability for W=    0.088559      193.56 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.262658D+03 -0.524423D+02  0.660618D+02
      2  -0.111621D+03  0.538832D+02 -0.168512D+02
      3  -0.151037D+03 -0.144091D+01 -0.492106D+02
      4  -0.455446D+02  0.116379D+03  0.481810D+02
      5  -0.214993D+01  0.511664D+02 -0.384590D+02
      6   0.193581D+02 -0.518691D+02 -0.130837D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.140133D+01 -0.291366D+02 -0.159116D+01
      2   0.629710D+02  0.191699D+02 -0.148189D+02
      3   0.388495D+02 -0.551119D+02 -0.166016D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.298538D+01 -0.350179D+02 -0.132538D+00
      2   0.682118D+02  0.288229D+02  0.112578D+03
      3   0.689774D+01 -0.228000D+03 -0.318082D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.203050D+01 -0.430935D+01 -0.846893D+01
      2  -0.430935D+01 -0.394426D+00  0.305492D+01
      3  -0.846893D+01  0.305492D+01  0.233357D+01
 OR G Eigenvalues:    -6.4815    -2.2695    12.7207  Iso=    -1.3232
 Eigenvectors:
   (1)   0.740299   0.202343   0.641105
   (2)   0.105408   0.906900  -0.407949
   (3)   0.663963  -0.369582  -0.650048
 w=    0.088559 a.u., Optical Rotation Beta=     -1.3232 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -291.40 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  106491 ScalPx= 8.15D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.56D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.78D-14 2.78D-09 XBig12= 1.00D+00 4.29D-01.
     30 vectors produced by pass  1 Test12= 6.78D-14 2.78D-09 XBig12= 7.12D-02 4.61D-02.
     30 vectors produced by pass  2 Test12= 6.78D-14 2.78D-09 XBig12= 5.35D-03 1.32D-02.
     30 vectors produced by pass  3 Test12= 6.78D-14 2.78D-09 XBig12= 1.14D-04 1.59D-03.
     30 vectors produced by pass  4 Test12= 6.78D-14 2.78D-09 XBig12= 4.05D-06 2.38D-04.
     30 vectors produced by pass  5 Test12= 6.78D-14 2.78D-09 XBig12= 1.05D-07 5.42D-05.
     30 vectors produced by pass  6 Test12= 6.78D-14 2.78D-09 XBig12= 1.83D-09 5.47D-06.
     30 vectors produced by pass  7 Test12= 6.78D-14 2.78D-09 XBig12= 2.83D-11 5.62D-07.
     30 vectors produced by pass  8 Test12= 6.78D-14 2.78D-09 XBig12= 4.89D-13 6.04D-08.
     10 vectors produced by pass  9 Test12= 6.78D-14 2.78D-09 XBig12= 4.45D-14 1.16D-08.
      8 vectors produced by pass 10 Test12= 6.78D-14 2.78D-09 XBig12= 5.80D-14 1.68D-08.
      4 vectors produced by pass 11 Test12= 6.78D-14 2.78D-09 XBig12= 2.56D-14 1.25D-08.
      3 vectors produced by pass 12 Test12= 6.78D-14 2.78D-09 XBig12= 7.29D-15 5.84D-09.
      1 vectors produced by pass 13 Test12= 6.78D-14 2.78D-09 XBig12= 2.05D-15 2.99D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   296 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.50D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 2.50D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.49D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.290887D+03  0.795368D+01  0.152488D+02
      2   0.795368D+01  0.171705D+03  0.845508D+01
      3   0.152488D+02  0.845508D+01  0.118075D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.140133D+01 -0.291366D+02 -0.159116D+01
      2   0.629710D+02  0.191699D+02 -0.148189D+02
      3   0.388495D+02 -0.551119D+02 -0.166016D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.262658D+03 -0.524423D+02  0.660618D+02
      2  -0.111621D+03  0.538832D+02 -0.168512D+02
      3  -0.151037D+03 -0.144091D+01 -0.492106D+02
      4  -0.455446D+02  0.116379D+03  0.481810D+02
      5  -0.214993D+01  0.511664D+02 -0.384590D+02
      6   0.193581D+02 -0.518691D+02 -0.130837D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.343501D+02 -0.338655D+01 -0.325188D+01  0.420411D+02  0.899990D+01
      2  -0.338655D+01 -0.106792D+01 -0.950793D+00  0.899990D+01  0.950735D+01
      3  -0.325188D+01 -0.950793D+00 -0.127393D+00  0.592586D+01  0.239574D+01
                 6             7             8             9            10 
      1   0.592586D+01  0.422628D+01  0.126814D+01 -0.262123D+00  0.388011D+02
      2   0.239574D+01  0.126814D+01  0.119002D+01  0.142760D+01  0.383132D+01
      3   0.633849D+00 -0.262123D+00  0.142760D+01  0.475783D+00  0.369213D+01
                11            12            13            14            15 
      1   0.383132D+01  0.369213D+01 -0.422512D+02 -0.859288D+01 -0.600642D+01
      2   0.438194D+01  0.986299D+00 -0.859288D+01 -0.808404D+01 -0.251076D+01
      3   0.986299D+00  0.947397D-01 -0.600642D+01 -0.251076D+01 -0.689285D+00
                16            17            18            19            20 
      1  -0.297246D+01 -0.115716D+01  0.737782D+00  0.361261D+02  0.531438D+01
      2  -0.115716D+01 -0.564592D+00 -0.122375D+01  0.531438D+01  0.425944D+01
      3   0.737782D+00 -0.122375D+01 -0.423245D+00  0.336790D+01  0.102478D+01
                21            22            23            24            25 
      1   0.336790D+01  0.190643D+02  0.212199D+01  0.717472D+00  0.845209D+01
      2   0.102478D+01  0.212199D+01  0.429073D+01  0.311750D+00  0.213741D+00
      3   0.426766D+00  0.717472D+00  0.311750D+00  0.215882D+01 -0.704195D+00
                26            27            28            29            30 
      1   0.213741D+00 -0.704195D+00 -0.423840D+02 -0.455365D+01 -0.117078D+01
      2   0.852917D-01  0.332589D+01 -0.455365D+01 -0.268740D+01 -0.297172D+00
      3   0.332589D+01  0.906961D+00 -0.117078D+01 -0.297172D+00 -0.205418D+01
                31            32            33            34            35 
      1  -0.112302D+02 -0.596321D+00  0.225690D+00 -0.562350D+01  0.491167D+00
      2  -0.596321D+00 -0.854893D+01 -0.224727D+01  0.491167D+00 -0.220299D+01
      3   0.225690D+00 -0.224727D+01 -0.685134D+00 -0.562967D+01 -0.128949D+01
                36            37            38            39            40 
      1  -0.562967D+01 -0.815202D+01  0.173315D+00 -0.277793D+00 -0.572501D+01
      2  -0.128949D+01  0.173315D+00 -0.842664D+01 -0.138816D+01 -0.191923D+01
      3  -0.153381D+01 -0.277793D+00 -0.138816D+01 -0.213912D+01  0.556523D+00
                41            42            43            44            45 
      1  -0.191923D+01  0.556523D+00 -0.119652D+01  0.992578D+00 -0.404311D+01
      2   0.332344D+01  0.143355D+01  0.992578D+00  0.313595D+00 -0.228153D+01
      3   0.143355D+01 -0.498471D+00 -0.404311D+01 -0.228153D+01 -0.283752D+01
                46            47            48            49            50 
      1   0.124756D+02  0.186784D+01  0.173101D+01  0.114688D+00 -0.688971D+00
      2   0.186784D+01  0.590935D+01  0.207364D+01 -0.688971D+00  0.106012D+00
      3   0.173101D+01  0.207364D+01  0.239399D+01 -0.114438D+00  0.961880D+00
                51            52            53            54            55 
      1  -0.114438D+00  0.144884D+01  0.397011D+00  0.164125D+01 -0.132456D+02
      2   0.961880D+00  0.397011D+00  0.220541D+01 -0.311174D+01 -0.317883D+01
      3  -0.113479D+01  0.164125D+01 -0.311174D+01 -0.105062D+01 -0.185570D+01
                56            57            58            59            60 
      1  -0.317883D+01 -0.185570D+01 -0.219170D+01  0.443727D+00 -0.254261D+00
      2  -0.895116D+01 -0.176645D+01  0.443727D+00 -0.984868D+00 -0.918872D+00
      3  -0.176645D+01 -0.218544D+01 -0.254261D+00 -0.918872D+00  0.127353D+01
                61            62            63            64            65 
      1  -0.182951D+01 -0.468253D+00 -0.161716D+01 -0.180475D+01  0.227040D+01
      2  -0.468253D+00 -0.263110D+01  0.301549D+01  0.227040D+01 -0.124962D+01
      3  -0.161716D+01  0.301549D+01  0.669246D+00 -0.999916D-02  0.164786D+00
                66            67            68            69            70 
      1  -0.999916D-02  0.311528D+01 -0.297117D+01 -0.672654D-01 -0.145999D+00
      2   0.164786D+00 -0.297117D+01  0.601324D+01  0.239220D+00 -0.107699D+00
      3  -0.135166D+00 -0.672654D-01  0.239220D+00  0.771607D+00 -0.127011D-01
                71            72            73            74            75 
      1  -0.107699D+00 -0.127011D-01 -0.516506D+01 -0.300451D+01 -0.115132D+01
      2   0.757331D+00  0.231369D+00 -0.300451D+01 -0.305871D+01 -0.880542D+00
      3   0.231369D+00  0.648241D-01 -0.115132D+01 -0.880542D+00 -0.765974D+00
                76            77            78            79            80 
      1  -0.326207D+01 -0.413060D+01 -0.118340D+01 -0.153404D+01 -0.122047D+01
      2  -0.413060D+01 -0.613155D+01 -0.156171D+01 -0.122047D+01 -0.138349D+01
      3  -0.118340D+01 -0.156171D+01 -0.120119D+01 -0.963858D-02 -0.700756D+00
                81            82            83            84            85 
      1  -0.963858D-02  0.152497D+01 -0.184640D+01 -0.222634D+00 -0.906925D+00
      2  -0.700756D+00 -0.184640D+01  0.265625D+01  0.326312D+00  0.203578D+01
      3  -0.371699D+00 -0.222634D+00  0.326312D+00  0.345102D+00  0.422575D+00
                86            87            88            89            90 
      1   0.203578D+01  0.422575D+00 -0.198919D-01  0.168322D+00  0.162548D-01
      2  -0.945921D+01 -0.141267D+01  0.168322D+00 -0.140355D+01 -0.566810D+00
      3  -0.141267D+01 -0.112640D+01  0.162548D-01 -0.566810D+00 -0.303185D+00
                91            92            93            94            95 
      1   0.182256D+02  0.321652D+01 -0.179647D+01  0.251229D+01  0.284003D+01
      2   0.321652D+01  0.167910D+01 -0.767331D+00  0.284003D+01 -0.126825D+01
      3  -0.179647D+01 -0.767331D+00  0.298441D+01 -0.372321D+00  0.312283D+01
                96            97            98            99           100 
      1  -0.372321D+00 -0.621145D+01 -0.130723D+01  0.562930D+01  0.756174D+01
      2   0.312283D+01 -0.130723D+01  0.189002D+01  0.215405D+01 -0.585938D+00
      3   0.127179D+01  0.562930D+01  0.215405D+01 -0.289045D+00  0.178887D+01
               101           102           103           104           105 
      1  -0.585938D+00  0.178887D+01  0.249955D+01 -0.251834D+01  0.108487D+01
      2  -0.212382D+01  0.124711D+01 -0.251834D+01  0.138925D+01 -0.299379D+01
      3   0.124711D+01 -0.316766D+01  0.108487D+01 -0.299379D+01 -0.186281D+01
               106           107           108           109           110 
      1   0.191118D+01  0.115264D+01 -0.216733D+01  0.286020D+01  0.155043D+01
      2   0.115264D+01 -0.201522D+01 -0.300240D+01  0.155043D+01  0.737244D+00
      3  -0.216733D+01 -0.300240D+01  0.273902D+01  0.334028D+00 -0.335445D+00
               111           112           113           114           115 
      1   0.334028D+00  0.109409D+01 -0.619483D+00  0.288194D+00  0.107368D+02
      2  -0.335445D+00 -0.619483D+00  0.107726D+00 -0.110072D+00  0.114473D+01
      3  -0.704758D+00  0.288194D+00 -0.110072D+00 -0.582108D+00 -0.472144D+01
               116           117           118           119           120 
      1   0.114473D+01 -0.472144D+01 -0.258515D+01 -0.166446D+01 -0.139594D+01
      2   0.501583D+00 -0.559795D+00 -0.166446D+01 -0.966468D+00 -0.385511D+00
      3  -0.559795D+00  0.518228D+00 -0.139594D+01 -0.385511D+00 -0.152164D+01
               121           122           123           124           125 
      1  -0.503670D+01 -0.182809D+01 -0.991595D+00 -0.223521D+01 -0.512118D+00
      2  -0.182809D+01 -0.265744D+01 -0.205693D+01 -0.512118D+00 -0.194938D+01
      3  -0.991595D+00 -0.205693D+01 -0.199402D+01 -0.247096D+01 -0.188265D+01
               126           127           128           129           130 
      1  -0.247096D+01  0.725207D+00  0.312146D+00 -0.126301D+01 -0.168067D+00
      2  -0.188265D+01  0.312146D+00  0.112071D+01 -0.991195D+00  0.297631D+00
      3  -0.377184D+01 -0.126301D+01 -0.991195D+00  0.227061D+01 -0.143065D+00
               131           132           133           134           135 
      1   0.297631D+00 -0.143065D+00 -0.175737D+01  0.228740D+00  0.318998D+00
      2   0.147962D+01 -0.131710D+01  0.228740D+00 -0.198128D+01  0.278008D+01
      3  -0.131710D+01  0.182527D+01  0.318998D+00  0.278008D+01 -0.697914D+01
               136           137           138           139           140 
      1  -0.211490D+00  0.563168D+00  0.509531D+00  0.118578D+01 -0.514684D+00
      2   0.563168D+00  0.591995D+00 -0.888560D-01 -0.514684D+00  0.423884D+01
      3   0.509531D+00 -0.888560D-01  0.609655D+00 -0.144459D+00  0.165674D+01
               141           142           143           144           145 
      1  -0.144459D+00  0.148705D+01 -0.838698D+00  0.195663D+00 -0.127009D+02
      2   0.165674D+01 -0.838698D+00  0.283087D+01  0.168365D+01  0.241179D+01
      3   0.164426D+01  0.195663D+00  0.168365D+01  0.215440D+01 -0.220251D+01
               146           147           148           149           150 
      1   0.241179D+01 -0.220251D+01  0.848563D+00 -0.115301D+01 -0.700356D-03
      2  -0.152545D+01  0.556722D+00 -0.115301D+01  0.164781D+00  0.323731D-01
      3   0.556722D+00 -0.141994D+01 -0.700356D-03  0.323731D-01  0.573992D-01
               151           152           153           154           155 
      1  -0.146556D+01  0.167762D+00 -0.141746D+01 -0.176850D+02 -0.352904D+01
      2   0.167762D+00  0.754431D-01  0.551748D+00 -0.352904D+01 -0.262010D+01
      3  -0.141746D+01  0.551748D+00 -0.977445D+00  0.101621D+01  0.722522D+00
               156           157           158           159           160 
      1   0.101621D+01 -0.438228D+01 -0.443917D+01  0.205048D+00  0.184121D+01
      2   0.722522D+00 -0.443917D+01 -0.289426D+01  0.453073D+00  0.538984D+00
      3  -0.287533D+01  0.205048D+00  0.453073D+00 -0.571983D+00 -0.283954D+01
               161           162           163           164           165 
      1   0.538984D+00 -0.283954D+01 -0.108153D+02 -0.143478D+01  0.424864D+01
      2  -0.126530D+00 -0.877714D+00 -0.143478D+01  0.268187D+00  0.477507D-01
      3  -0.877714D+00  0.382789D+00  0.424864D+01  0.477507D-01 -0.102445D+01
               166           167           168           169           170 
      1  -0.304844D+01  0.169776D+00  0.653363D+00  0.136160D+01 -0.340682D+00
      2   0.169776D+00  0.310239D+00  0.123069D+01 -0.340682D+00  0.550981D+00
      3   0.653363D+00  0.123069D+01 -0.177089D+00 -0.368686D+00 -0.395603D+00
               171           172           173           174           175 
      1  -0.368686D+00  0.100064D+02  0.947155D+00 -0.236081D+01  0.250873D+01
      2  -0.395603D+00  0.947155D+00  0.187045D+00 -0.179928D+00 -0.522137D-01
      3   0.641166D+01 -0.236081D+01 -0.179928D+00  0.261317D+01 -0.675264D+00
               176           177           178           179           180 
      1  -0.522137D-01 -0.675264D+00 -0.571273D+01 -0.418264D+00  0.229410D+01
      2   0.553081D-01  0.523854D+00 -0.418264D+00  0.893896D+00  0.329611D+00
      3   0.523854D+00  0.770059D+00  0.229410D+01  0.329611D+00  0.657179D-01
               181           182           183           184           185 
      1   0.113325D+02  0.498829D+00  0.612697D+00  0.625644D+01  0.110958D+01
      2   0.498829D+00  0.981917D+01  0.730773D+00  0.110958D+01 -0.500203D+01
      3   0.612697D+00  0.730773D+00  0.191072D+01 -0.773383D-01 -0.128405D+01
               186           187           188           189           190 
      1  -0.773383D-01  0.129371D+01 -0.922458D+00  0.434026D+01  0.368195D+02
      2  -0.128405D+01 -0.922458D+00 -0.764261D+00  0.264685D+01  0.260137D+01
      3   0.902398D+00  0.434026D+01  0.264685D+01  0.239076D+01  0.305810D+01
               191           192           193           194           195 
      1   0.260137D+01  0.305810D+01  0.166907D+02  0.623560D+00  0.515647D+00
      2   0.535774D+01  0.567131D+00  0.623560D+00  0.127962D+02  0.157420D+01
      3   0.567131D+00  0.345275D+01  0.515647D+00  0.157420D+01  0.583250D+00
               196           197           198           199           200 
      1   0.588420D+01 -0.847898D+00  0.671830D+01 -0.373919D+02 -0.468841D+01
      2  -0.847898D+00  0.256476D+01  0.118021D+01 -0.468841D+01 -0.749127D+01
      3   0.671830D+01  0.118021D+01  0.213866D+01 -0.419774D+01 -0.104046D+01
               201           202           203           204           205 
      1  -0.419774D+01 -0.194059D+02 -0.770063D+00 -0.182919D+01 -0.807702D+01
      2  -0.104046D+01 -0.770063D+00 -0.544993D+01  0.967247D-01 -0.300130D+00
      3  -0.338031D+00 -0.182919D+01  0.967247D-01 -0.244986D+01 -0.820337D+00
               206           207           208           209           210 
      1  -0.300130D+00 -0.820337D+00 -0.808593D+01  0.825587D+00 -0.778904D+00
      2  -0.607213D+00 -0.343973D+01  0.825587D+00 -0.171019D+01 -0.310542D+00
      3  -0.343973D+01 -0.164699D+01 -0.778904D+00 -0.310542D+00 -0.348399D+00
               211           212           213           214           215 
      1   0.176240D+01  0.145403D+01  0.558032D+00 -0.602495D+00  0.219890D+00
      2   0.145403D+01  0.200728D+01  0.618844D+00  0.219890D+00 -0.124502D-01
      3   0.558032D+00  0.618844D+00 -0.770253D+00  0.483081D+00  0.501058D+00
               216           217           218           219           220 
      1   0.483081D+00 -0.350760D+01 -0.153119D+01 -0.748521D+00 -0.354017D+01
      2   0.501058D+00 -0.153119D+01  0.257380D+01 -0.440581D+00 -0.837361D-01
      3   0.154808D+00 -0.748521D+00 -0.440581D+00  0.130327D+01 -0.104536D+01
               221           222           223           224           225 
      1  -0.837361D-01 -0.104536D+01 -0.962333D+00 -0.587750D+00 -0.110423D+01
      2  -0.108837D+00 -0.165731D+01 -0.587750D+00 -0.107956D+01  0.337859D+01
      3  -0.165731D+01  0.488507D+01 -0.110423D+01  0.337859D+01  0.234681D+01
               226           227           228           229           230 
      1  -0.121331D+01  0.156312D+01  0.131063D+00  0.546984D+00 -0.141926D+01
      2   0.156312D+01 -0.274782D+01 -0.287238D+00 -0.141926D+01  0.952247D+01
      3   0.131063D+00 -0.287238D+00 -0.303660D+00 -0.299224D+00  0.117110D+01
               231           232           233           234           235 
      1  -0.299224D+00 -0.665477D-01 -0.172649D+00  0.127554D+00  0.584984D+01
      2   0.117110D+01 -0.172649D+00  0.124687D+01  0.542736D+00  0.392518D+01
      3   0.103447D+01  0.127554D+00  0.542736D+00  0.320883D+00  0.132310D+01
               236           237           238           239           240 
      1   0.392518D+01  0.132310D+01  0.436817D+01  0.491644D+01  0.128818D+01
      2   0.370201D+01  0.947506D+00  0.491644D+01  0.651738D+01  0.149090D+01
      3   0.947506D+00  0.908958D+00  0.128818D+01  0.149090D+01  0.122847D+01
               241           242           243           244           245 
      1   0.162274D+01  0.139301D+01  0.194123D+00  0.222200D+01 -0.242962D+01
      2   0.139301D+01  0.153430D+01  0.731572D+00 -0.242962D+01  0.141973D+01
      3   0.194123D+00  0.731572D+00  0.401502D+00 -0.217261D+00 -0.351251D-01
               246           247           248           249           250 
      1  -0.217261D+00 -0.370914D+01  0.321132D+01  0.246101D+00 -0.419463D+00
      2  -0.351251D-01  0.321132D+01 -0.597701D+01 -0.615998D+00  0.271489D+00
      3   0.165170D+00  0.246101D+00 -0.615998D+00 -0.738579D+00  0.140021D+00
               251           252           253           254           255 
      1   0.271489D+00  0.140021D+00  0.155159D+02 -0.427053D+00  0.140493D+01
      2  -0.923064D+00 -0.123171D+00 -0.427053D+00  0.972077D+00 -0.273005D-01
      3  -0.123171D+00 -0.121528D+00  0.140493D+01 -0.273005D-01  0.124019D+01
               256           257           258           259           260 
      1   0.187673D+01  0.117972D+01  0.189877D+00  0.178712D+01 -0.314618D-01
      2   0.117972D+01  0.401937D+00  0.299597D+00 -0.314618D-01  0.322577D+00
      3   0.189877D+00  0.299597D+00  0.141591D-01  0.173760D+01 -0.328584D+00
               261           262           263           264           265 
      1   0.173760D+01  0.219504D+00  0.115447D+00 -0.979372D+00 -0.487745D+00
      2  -0.328584D+00  0.115447D+00 -0.179928D+00  0.237816D+00  0.128477D+01
      3   0.372774D+00 -0.979372D+00  0.237816D+00 -0.459100D+00  0.990629D+00
               266           267           268           269           270 
      1   0.128477D+01  0.990629D+00 -0.377514D+01  0.179335D+01  0.239657D+01
      2  -0.176805D+01 -0.143899D+01  0.179335D+01 -0.175333D+01 -0.209535D+01
      3  -0.143899D+01 -0.195381D+01  0.239657D+01 -0.209535D+01 -0.581156D+01
               271           272           273           274           275 
      1  -0.967855D+00  0.272434D+00  0.662443D+00 -0.114026D+01  0.160898D+01
      2   0.272434D+00 -0.829293D+00  0.539482D+00  0.160898D+01 -0.389737D+01
      3   0.662443D+00  0.539482D+00 -0.114925D+01 -0.663748D+00  0.251246D+01
               276           277           278           279 
      1  -0.663748D+00  0.255444D+01 -0.120863D+01  0.121772D+01
      2   0.251246D+01 -0.120863D+01  0.243506D+01 -0.260143D+01
      3  -0.261861D+01  0.121772D+01 -0.260143D+01  0.360280D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.341150D+01 -0.295542D+01  0.310753D+00 -0.740077D+01 -0.630421D+01
      2  -0.798006D+01 -0.363407D+01 -0.139844D+01  0.110989D+02  0.692999D+00
      3  -0.258578D+02  0.197981D+02  0.659049D+00  0.376400D+02  0.156252D+02
                 6             7             8             9            10 
      1  -0.152611D+01  0.275381D+01  0.640603D+01  0.120238D+01 -0.957864D+00
      2  -0.425360D+00 -0.169845D+02 -0.213186D+01 -0.225955D+01  0.191766D+02
      3   0.566015D+01  0.201026D+01  0.634614D+01 -0.271365D+00 -0.164381D+01
                11            12            13            14            15 
      1  -0.541545D+01 -0.681995D+00 -0.391270D+01 -0.176314D+01  0.364233D+00
      2  -0.914607D+00 -0.379167D+01 -0.178642D+02 -0.583268D+01 -0.290208D+01
      3   0.242526D+02  0.274122D+01  0.410428D+02  0.239510D+02  0.840694D+01
                16            17            18            19            20 
      1   0.299308D+01  0.726737D+01  0.190942D+01 -0.436348D+01  0.453068D+00
      2  -0.196554D+02 -0.274384D+01 -0.285158D+01  0.142152D+02  0.586666D+01
      3   0.495955D+01  0.817540D+01  0.189119D+01  0.271971D+02 -0.170033D+02
                21            22            23            24            25 
      1  -0.527420D+00 -0.601034D+00 -0.321286D+01 -0.261481D+01  0.616606D+01
      2   0.117879D+01  0.118935D+02  0.199370D+01 -0.673968D+00 -0.153568D+02
      3   0.129382D+00  0.921117D+01  0.116122D+01  0.264921D+00 -0.592851D+00
                26            27            28            29            30 
      1   0.284457D+01 -0.209596D+01 -0.561518D-01 -0.117319D+01 -0.417118D+00
      2  -0.624092D+01 -0.292229D+01 -0.230637D+02 -0.376890D+01  0.542313D+00
      3  -0.375424D+01  0.156332D+01 -0.444675D+01  0.531015D+01  0.725499D+00
                31            32            33            34            35 
      1  -0.608529D+01  0.280629D+01  0.290416D+01 -0.178256D+01  0.127677D+02
      2  -0.609917D+01  0.191670D+01  0.169572D+00 -0.132632D+02 -0.211912D+00
      3   0.207297D+02 -0.220679D+01 -0.297087D+01  0.157810D+01  0.352305D+00
                36            37            38            39            40 
      1   0.332096D+01 -0.875581D+00  0.466379D+01 -0.312892D+01  0.398450D+01
      2  -0.908344D+00 -0.228458D+01  0.295396D+00  0.150396D+01 -0.302646D+01
      3  -0.163635D+01  0.181869D+02 -0.324375D+01 -0.829298D+00  0.224794D+01
                41            42            43            44            45 
      1  -0.348967D+01 -0.204059D+01 -0.140160D+02  0.461790D+01 -0.113734D+01
      2  -0.413321D+01  0.105193D+01 -0.108878D+02  0.628301D+01 -0.912952D+00
      3   0.641784D+01  0.274991D+01 -0.681131D+00  0.185824D+01  0.498910D+01
                46            47            48            49            50 
      1   0.173841D+01 -0.533887D+00  0.366114D+01  0.311700D+00  0.320581D+01
      2   0.851887D+01  0.318988D+01  0.221205D+01  0.309837D+01  0.279543D+01
      3  -0.302741D+02 -0.239856D+02 -0.516062D+01 -0.657018D+01 -0.185486D+02
                51            52            53            54            55 
      1  -0.285254D+01  0.100765D+02 -0.190891D+01  0.292793D+01  0.230174D+01
      2   0.116264D+01 -0.153217D+02 -0.742703D-01  0.182175D+00  0.410275D+01
      3  -0.346050D+01 -0.708699D+01 -0.520221D+01 -0.609931D+01 -0.251327D+02
                56            57            58            59            60 
      1   0.343181D+01  0.571032D+01 -0.123026D+01  0.320842D+01 -0.235418D+01
      2   0.606263D+00 -0.360676D+01  0.325922D+01  0.178140D+01  0.377936D+01
      3  -0.113315D+02 -0.301584D+01 -0.111528D+01 -0.171668D+02 -0.534897D+00
                61            62            63            64            65 
      1   0.976737D+01 -0.138908D+01  0.135290D+01 -0.313980D+00 -0.679640D+00
      2  -0.197486D+02  0.407738D+01  0.239179D+00  0.354258D+00  0.132621D+00
      3  -0.431473D+01 -0.155742D+01 -0.119072D+02 -0.203051D+01  0.169763D+01
                66            67            68            69            70 
      1   0.914123D+00  0.295198D+00 -0.140423D+01 -0.348294D+01  0.386306D+00
      2   0.113939D+00  0.470263D+00 -0.103126D+01 -0.147136D+01 -0.205584D+01
      3   0.362738D-01  0.573440D+01  0.377622D+01  0.773540D+00  0.130723D+00
                71            72            73            74            75 
      1   0.155331D+01  0.159314D+00  0.208812D+00  0.123988D+01 -0.208331D+01
      2   0.990250D+00  0.103361D-01 -0.360450D+01 -0.128932D+01  0.108829D+01
      3   0.869140D+00 -0.662103D+00  0.774569D+01  0.241751D+00  0.778029D+00
                76            77            78            79            80 
      1   0.135994D+01  0.258202D+01 -0.278198D+01  0.288630D+01  0.189829D+01
      2  -0.149747D+01 -0.128671D+01  0.193568D+01 -0.308430D+01 -0.346695D+00
      3   0.174696D+01 -0.212314D+01 -0.980230D-01  0.171347D+01 -0.173119D+00
                81            82            83            84            85 
      1   0.979789D-01  0.133575D+01 -0.161514D+01  0.147814D+01 -0.555692D+00
      2   0.679590D+00  0.153006D+01 -0.127247D+01  0.806406D+00 -0.109099D+01
      3  -0.866950D+00 -0.601876D+01  0.297055D+01  0.230450D+00  0.533262D+01
                86            87            88            89            90 
      1   0.392531D+01 -0.379155D+01 -0.132577D+01  0.221074D+01 -0.383415D+00
      2   0.177946D+01 -0.980378D+00 -0.407175D+00 -0.517289D+00 -0.330641D+00
      3  -0.327841D+01 -0.961216D+00 -0.242700D+00 -0.853959D+00  0.632850D+00
                91            92            93            94            95 
      1  -0.911537D+00 -0.162475D+01  0.446933D+00  0.895561D+00  0.176786D+00
      2   0.186697D+02  0.382769D+01 -0.934281D+01  0.325361D+01 -0.760307D+01
      3   0.510859D+01  0.355078D+00 -0.115660D+01  0.183217D+02 -0.676223D+01
                96            97            98            99           100 
      1  -0.317191D+01 -0.365924D+00  0.409496D+01 -0.375278D+01 -0.165689D+01
      2  -0.438815D+01 -0.357040D+02 -0.796996D+01  0.420797D+01  0.255755D+01
      3   0.125781D+02 -0.296558D+01  0.105306D+02  0.772268D+01  0.142539D+02
               101           102           103           104           105 
      1   0.287232D+01  0.242456D+01  0.796234D+00  0.328879D+01  0.594861D+01
      2  -0.481884D+01  0.158702D+02 -0.163793D+01  0.783991D+01  0.876901D+01
      3  -0.160029D+02  0.814298D+01 -0.927742D+01 -0.175659D+00 -0.122664D+02
               106           107           108           109           110 
      1  -0.648819D+00  0.102877D+02  0.825634D-01  0.409866D+01  0.143625D+01
      2   0.722431D+01  0.126532D+02 -0.123870D+02 -0.193098D+02 -0.381907D+01
      3   0.636405D+01 -0.818573D+01 -0.165106D+02 -0.288177D+01  0.138134D+02
               111           112           113           114           115 
      1   0.560115D+01  0.113065D+02  0.540040D+01 -0.150426D+02  0.345390D+01
      2   0.127893D+01 -0.144669D+01 -0.982238D+00 -0.366133D+01  0.161267D+02
      3   0.958898D+00  0.113626D+02  0.100116D+02 -0.216357D+01  0.400706D+01
               116           117           118           119           120 
      1  -0.397567D+01 -0.223636D+01  0.760627D+00  0.119426D+01  0.282342D+00
      2  -0.726223D+00 -0.216206D+01  0.301372D+01  0.208921D+00  0.531665D+01
      3  -0.340643D+01 -0.160065D+01 -0.714197D+01 -0.527335D+01 -0.146479D+01
               121           122           123           124           125 
      1   0.371397D+00  0.238813D+01  0.434925D+00  0.237859D-01  0.270065D+01
      2  -0.116744D+01  0.534572D+01  0.648431D+01  0.507449D+01  0.575595D+01
      3  -0.244880D+01 -0.939560D+01 -0.735957D+01 -0.115741D+01 -0.799614D+01
               126           127           128           129           130 
      1   0.801459D+00  0.960925D+00 -0.141617D+01 -0.214896D+01 -0.245140D+00
      2   0.101261D+02  0.742296D+01  0.332270D+01 -0.888092D+01  0.663195D+00
      3  -0.725747D+01  0.400158D+01  0.509707D+01 -0.597522D+01  0.344478D+01
               131           132           133           134           135 
      1  -0.282413D+00 -0.230328D+01 -0.147627D+01  0.102946D+01  0.633683D+01
      2   0.513257D+01 -0.687106D+01 -0.592178D+01 -0.955087D+01  0.249702D+02
      3   0.607337D+01 -0.586809D+01 -0.296588D+01 -0.713946D+01  0.128342D+02
               136           137           138           139           140 
      1  -0.196011D+01 -0.766168D+00 -0.152004D+01  0.809739D-01 -0.761469D+01
      2  -0.289202D+01  0.902440D+00 -0.157289D+01  0.100572D+01 -0.662074D+01
      3   0.450345D+01  0.377638D+01  0.134495D+01  0.269625D+01  0.174693D+02
               141           142           143           144           145 
      1  -0.691015D+01 -0.258231D-01 -0.491457D+01 -0.753717D+01  0.560886D+00
      2  -0.614238D+01 -0.147667D+01 -0.664900D+01 -0.778572D+01 -0.679287D+01
      3   0.753184D+01  0.122557D+01  0.113509D+02  0.883950D+01 -0.914678D+01
               146           147           148           149           150 
      1   0.158686D+01  0.175201D+01  0.124594D+01 -0.215400D+00 -0.112224D+01
      2   0.204159D+00  0.542434D+01  0.524377D+00 -0.178772D+01 -0.226709D+00
      3  -0.599030D+01 -0.653815D+00 -0.242477D+01 -0.557720D+00  0.117231D+01
               151           152           153           154           155 
      1   0.148178D+01 -0.346517D+00  0.370371D+00 -0.322152D+01 -0.123427D+01
      2   0.294882D+01 -0.171647D+01  0.225227D+01  0.939180D+01  0.286280D+00
      3  -0.141637D+01  0.925547D+00  0.492514D+00 -0.501906D+01 -0.239852D+02
               156           157           158           159           160 
      1  -0.574464D+01 -0.800899D+01 -0.326510D+01 -0.150559D+00 -0.308698D+01
      2   0.217418D+02 -0.181352D+01  0.121009D+01  0.578351D+01  0.855619D+01
      3   0.104129D+01 -0.152398D+02 -0.145564D+02  0.154315D+01  0.254023D+00
               161           162           163           164           165 
      1   0.277808D+01  0.321355D+00 -0.447727D+01 -0.222179D+01  0.409232D+00
      2   0.391944D+01 -0.138913D+01  0.698110D+01  0.327919D+01  0.159100D+01
      3   0.263404D+01 -0.220638D+01 -0.490165D+01 -0.357172D+01 -0.397674D-01
               166           167           168           169           170 
      1  -0.455402D+01 -0.601337D+00  0.430532D+01  0.211612D+01  0.727538D+01
      2   0.353672D+01 -0.511311D+01  0.134963D+01 -0.949814D+01  0.915622D+00
      3   0.185273D+01 -0.574017D-01  0.545362D+01 -0.108769D+01  0.227359D+01
               171           172           173           174           175 
      1   0.310935D+01  0.580934D+01  0.221148D+01 -0.116453D+01  0.546137D+01
      2  -0.206338D+02 -0.183811D+02 -0.227866D+01 -0.467609D+01 -0.435910D+01
      3  -0.797316D+00  0.301781D+01  0.183078D+01 -0.102092D+01  0.495476D+01
               176           177           178           179           180 
      1   0.883491D+00 -0.268613D+01 -0.138263D+01 -0.990269D+00  0.643093D+00
      2  -0.210906D+01 -0.151632D+01 -0.580454D+00  0.196281D+00 -0.123055D+01
      3   0.175797D+00  0.399794D+00 -0.153366D+01 -0.759301D+00  0.702444D+00
               181           182           183           184           185 
      1  -0.283144D+00 -0.118925D+01 -0.521707D+01  0.330749D+01 -0.215742D+01
      2  -0.114762D+01  0.111928D+01  0.591718D+01  0.273612D+01 -0.692732D+01
      3   0.213601D+02 -0.134762D+02  0.102094D+00 -0.432736D+01  0.234830D+02
               186           187           188           189           190 
      1  -0.188144D+01 -0.144402D+02  0.556132D+01 -0.266556D+01 -0.183339D+01
      2   0.130471D+01 -0.109955D+01  0.905314D+01  0.387205D+01  0.105091D+02
      3   0.403494D+01 -0.506639D+00  0.461418D+01  0.229421D+01  0.960113D+01
               191           192           193           194           195 
      1  -0.542821D+01 -0.146111D+01 -0.635813D+01 -0.432915D+01  0.305806D+01
      2  -0.285326D+01  0.102153D+01 -0.185424D+01  0.472644D+01  0.109290D+01
      3   0.178379D+02  0.454406D+01  0.424071D+02 -0.209140D+02  0.152207D+01
               196           197           198           199           200 
      1   0.124652D+01  0.110626D+02  0.278044D+01 -0.130835D+00  0.372030D+01
      2   0.196989D+01  0.265559D+01  0.329832D+01 -0.136696D+02  0.102004D+01
      3   0.959289D+01  0.105371D+01 -0.723826D+00  0.732589D+01 -0.152648D+02
               201           202           203           204           205 
      1   0.300731D+00  0.993397D+00  0.174196D+01 -0.291907D+01  0.288347D+01
      2   0.247698D+01 -0.129408D+01  0.242955D+01 -0.437267D+01 -0.214653D+02
      3  -0.193640D+01 -0.736669D+01  0.468290D+00 -0.315569D+01 -0.438044D+01
               206           207           208           209           210 
      1   0.419342D+01  0.864258D+00  0.171190D+01  0.501754D+01  0.147953D+01
      2  -0.122408D+02 -0.586760D+01 -0.445075D+00  0.413022D+01  0.113297D+02
      3  -0.515920D+01  0.540918D+01 -0.149135D+02 -0.347231D+02 -0.568696D+01
               211           212           213           214           215 
      1   0.570938D+00  0.145974D+01 -0.597085D+01 -0.274257D+01  0.508312D+00
      2   0.165538D+01  0.225426D+01 -0.632790D+01 -0.398771D+01  0.487422D+01
      3   0.234121D+01 -0.769231D+01 -0.253659D+01 -0.235802D+01 -0.467650D+01
               216           217           218           219           220 
      1  -0.127720D+01 -0.222104D+01 -0.108889D+01  0.130617D+01  0.786245D+00
      2   0.968796D+00 -0.645205D+01 -0.292855D+01  0.716681D+01 -0.421083D+01
      3  -0.256566D+01  0.294776D+02 -0.976076D+01  0.662619D+01 -0.130984D+01
               221           222           223           224           225 
      1  -0.743264D+00  0.682594D+01 -0.935772D+01  0.847555D+01  0.445142D+01
      2  -0.657724D+01  0.294498D+02 -0.679475D+01  0.196316D+02  0.145986D+02
      3  -0.176222D+02  0.810576D+01  0.526906D+01  0.575893D+01 -0.249140D+02
               226           227           228           229           230 
      1   0.513349D+00 -0.444246D+00  0.169871D+01  0.374674D+00  0.193561D+00
      2   0.111207D+01 -0.965136D+00  0.153294D+00 -0.107656D+01  0.306522D+01
      3  -0.857141D+01  0.757957D+01  0.503322D+00  0.661833D+01 -0.199396D+02
               231           232           233           234           235 
      1  -0.449231D+01 -0.101783D+01  0.147883D+01 -0.595289D+00 -0.136325D+01
      2   0.753489D+00  0.407069D-02  0.678261D+00  0.251535D+00  0.178218D+01
      3  -0.300214D+01  0.240276D-01 -0.259245D+01 -0.256653D+00  0.802487D+00
               236           237           238           239           240 
      1  -0.139875D+00 -0.258782D+01 -0.713523D+00  0.590525D-01 -0.350611D+01
      2   0.161632D+01  0.352507D+01  0.252341D+01  0.302025D+01  0.470603D+01
      3  -0.572610D+01 -0.433728D+00 -0.632092D+01 -0.131972D+02 -0.241228D+01
               241           242           243           244           245 
      1   0.214132D+01  0.820858D+00 -0.417987D+00  0.456245D+00 -0.485813D+00
      2  -0.187681D+01  0.205189D+01  0.146453D+01  0.510924D+00 -0.661228D+00
      3  -0.879304D+00 -0.237378D+01 -0.211188D+01  0.139685D+01 -0.205855D+01
               246           247           248           249           250 
      1   0.836562D+00 -0.694198D+00  0.379836D+00 -0.293819D+01  0.430181D+00
      2   0.656025D+00 -0.608446D+00 -0.135743D+01 -0.252817D+01 -0.138933D+01
      3  -0.394811D-02 -0.551410D+00  0.148097D+02  0.199215D+01 -0.521853D-01
               251           252           253           254           255 
      1   0.139236D+01 -0.884344D-01  0.141931D+01  0.582494D+00  0.126327D+01
      2   0.795797D+00 -0.232340D+00  0.511204D+01  0.119136D+00  0.909940D+01
      3   0.280670D+01  0.247878D-01 -0.127103D+02 -0.854449D+01 -0.155695D+01
               256           257           258           259           260 
      1   0.271518D+00  0.490765D+00 -0.676807D+00  0.196334D+01  0.878549D-01
      2   0.736669D+00  0.145866D+01  0.169971D+00  0.807086D+01 -0.171282D+01
      3  -0.658621D+01 -0.352540D+01 -0.195478D+01 -0.173127D+01 -0.242437D+01
               261           262           263           264           265 
      1   0.146942D+00 -0.810059D+00  0.138113D+00 -0.100576D+01  0.527725D+00
      2   0.183381D+01 -0.704968D+01  0.123212D+01 -0.225876D+01  0.491357D+01
      3   0.105416D+01  0.873996D+00  0.255237D+01  0.475555D+00 -0.438519D+01
               266           267           268           269           270 
      1  -0.176770D+01 -0.364027D+01  0.344132D+01 -0.976392D+00 -0.927122D+01
      2  -0.812288D+01 -0.114484D+02  0.852699D+01 -0.121171D+02 -0.327432D+02
      3   0.126482D+02  0.912458D+01 -0.609514D+01  0.117518D+02  0.150294D+02
               271           272           273           274           275 
      1   0.148639D+00 -0.136029D+00 -0.218698D+01 -0.203085D+00  0.736036D+00
      2   0.573322D+01  0.206899D+01 -0.544957D+01 -0.232186D+01  0.120423D+02
      3   0.187382D+01  0.697700D+01 -0.432904D+01 -0.430179D+01  0.256147D+02
               276           277           278           279 
      1  -0.402137D+01  0.142190D+01 -0.960389D+00  0.480440D+01
      2  -0.140263D+02  0.259809D+01 -0.135475D+02  0.180385D+02
      3  -0.149464D+02  0.291919D+01 -0.150469D+02  0.169081D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.737917D+02 -0.352870D+02 -0.115686D+02  0.810170D+02 -0.150043D+01
      2   0.397434D+02  0.227871D+02  0.871224D+01 -0.362487D+02  0.118286D+02
      3   0.340483D+02  0.125000D+02  0.285640D+01 -0.447684D+02 -0.103282D+02
      4  -0.109798D+02  0.165482D+02  0.310239D+01  0.103075D+02  0.236098D+02
      5  -0.873146D+01  0.954262D+00 -0.334047D+01 -0.744145D-02  0.197432D+01
      6  -0.959303D+00  0.518458D+01 -0.925374D-02 -0.200001D+01  0.109858D+00
                 6             7             8             9            10 
      1   0.102792D+02  0.529014D+01 -0.228449D+01 -0.967355D+01  0.901767D+02
      2  -0.147419D+01  0.284810D+00  0.407281D+01  0.190498D+00 -0.365371D+02
      3  -0.880497D+01 -0.557495D+01 -0.178832D+01  0.948305D+01 -0.536396D+02
      4   0.547562D+01  0.705380D+00  0.467756D+01  0.266770D+01 -0.284249D+02
      5  -0.262628D+01 -0.780248D+00  0.156074D+01 -0.332364D+01  0.315903D+01
      6  -0.596338D+00 -0.259764D+01  0.437822D+01 -0.247308D+01 -0.568775D+00
                11            12            13            14            15 
      1  -0.200702D+02  0.726330D+01 -0.818712D+02 -0.303846D+02 -0.125854D+02
      2   0.161554D+02  0.100056D-01  0.318580D+02  0.188081D+02  0.814752D+01
      3   0.391481D+01 -0.727331D+01  0.500132D+02  0.115765D+02  0.443792D+01
      4   0.155906D+02  0.236941D+01 -0.304520D+02 -0.178165D+02 -0.492560D+01
      5   0.353199D+01 -0.972046D+01 -0.377026D+01 -0.136788D+01  0.176041D+00
      6   0.187111D+01 -0.205289D+00 -0.165836D+01  0.499421D+01 -0.575729D+00
                16            17            18            19            20 
      1  -0.304357D+01 -0.683008D+01 -0.613090D+01  0.406838D+02  0.413212D+02
      2   0.320324D+01  0.437371D+01 -0.238273D+01 -0.219093D+02 -0.283588D+02
      3  -0.159674D+00  0.245637D+01  0.851362D+01 -0.187745D+02 -0.129624D+02
      4  -0.918854D+01 -0.114612D+01 -0.384555D+01  0.160637D+02 -0.199107D+02
      5   0.283142D+01 -0.158048D+01 -0.388601D+01  0.654343D+01  0.149475D+01
      6  -0.229604D+01  0.446670D+01 -0.130759D+01  0.178967D+01 -0.950010D+01
                21            22            23            24            25 
      1   0.144977D+02 -0.116860D+02  0.205935D+02  0.886949D+01  0.236108D+01
      2  -0.837564D+01  0.189215D+02 -0.226444D+02 -0.516666D+01  0.386981D+01
      3  -0.612204D+01 -0.723546D+01  0.205097D+01 -0.370283D+01 -0.623089D+01
      4  -0.103057D+01  0.108603D+02 -0.112310D+01  0.179447D+01  0.802218D+01
      5   0.339071D+00  0.356213D+01  0.239070D+01 -0.436635D+01  0.820804D+01
      6  -0.109134D+01  0.598425D+01 -0.983220D+01  0.408881D+01  0.459882D+00
                26            27            28            29            30 
      1   0.169616D+02 -0.482860D+01  0.184319D+02  0.621035D+01 -0.631965D+01
      2  -0.109608D+02 -0.475549D+01 -0.245678D+02 -0.239744D+01  0.220518D+01
      3  -0.600080D+01  0.958408D+01  0.613587D+01 -0.381291D+01  0.411447D+01
      4   0.536678D+00 -0.433416D+01  0.108669D+02  0.118876D+02  0.169602D+01
      5  -0.726056D+01 -0.481820D+01 -0.484167D+01  0.213692D+01  0.700238D+01
      6   0.794794D+01 -0.369170D+01 -0.428216D+01  0.323428D+01  0.124638D+01
                31            32            33            34            35 
      1  -0.218664D+02 -0.567423D+02 -0.124261D+02 -0.126275D+02 -0.121632D+02
      2   0.147926D+02  0.458689D+02  0.134600D+02 -0.238032D+00  0.927687D+01
      3   0.707388D+01  0.108735D+02 -0.103387D+01  0.128655D+02  0.288635D+01
      4  -0.360372D+02  0.166619D+02  0.392793D+01 -0.111750D+02  0.548515D+01
      5  -0.124162D+02  0.220180D+00 -0.675370D+00  0.214366D+02  0.465003D+01
      6  -0.366901D+01  0.155049D+02  0.988764D-02 -0.122479D+01  0.706189D+01
                36            37            38            39            40 
      1  -0.691785D+01 -0.969393D+01 -0.598242D+02 -0.129102D+02  0.269932D+02
      2  -0.629321D+01  0.378569D+01  0.424984D+02  0.523387D+01 -0.242660D+02
      3   0.132111D+02  0.590825D+01  0.173258D+02  0.767633D+01 -0.272724D+01
      4   0.195611D+01 -0.270194D+02  0.752892D+00 -0.458217D+01  0.216431D+02
      5   0.211911D+01 -0.182498D+01 -0.740519D+01  0.595288D+00  0.114368D+01
      6  -0.191346D+01 -0.705209D+01  0.808339D+01  0.763003D+01 -0.537050D+01
                41            42            43            44            45 
      1   0.328644D+02  0.801100D+01 -0.150641D+01 -0.450359D+01 -0.163431D+02
      2  -0.287681D+02 -0.859761D+01 -0.113326D+02 -0.437209D+01 -0.183441D+01
      3  -0.409633D+01  0.586609D+00  0.128390D+02  0.887568D+01  0.181775D+02
      4  -0.214326D+02 -0.601204D+01 -0.893871D+01 -0.733575D+01  0.448231D+01
      5  -0.421772D+01  0.505981D+01  0.119389D+02  0.421769D+01  0.551790D+01
      6  -0.131597D+02 -0.570547D+00  0.144008D+02  0.966839D+01  0.737848D+01
                46            47            48            49            50 
      1   0.159045D+02  0.509163D+02  0.150706D+02 -0.127494D+02  0.120250D+02
      2  -0.108736D+02 -0.329199D+02 -0.545800D+01  0.113440D+02 -0.162713D+02
      3  -0.503090D+01 -0.179964D+02 -0.961257D+01  0.140538D+01  0.424628D+01
      4   0.291170D+02 -0.134812D+02  0.320052D+00  0.174526D+02  0.952413D+01
      5  -0.384848D+01 -0.139725D+00  0.175040D+01 -0.221035D+00  0.228498D+01
      6   0.249973D+01 -0.110306D+02 -0.840646D+01  0.473192D+01 -0.820240D+01
                51            52            53            54            55 
      1   0.411553D+01  0.167500D+01  0.109712D+02 -0.175981D+02 -0.219382D+02
      2  -0.660172D+01  0.280223D+01 -0.173750D+02  0.557811D+01  0.347059D+01
      3   0.248619D+01 -0.447723D+01  0.640379D+01  0.120200D+02  0.184676D+02
      4   0.384602D+01  0.675948D+01 -0.150349D+01 -0.328442D+01 -0.496584D+01
      5   0.278966D+00  0.459725D+01 -0.141307D+01 -0.454407D+01  0.433582D+01
      6   0.495809D+01 -0.514064D+01  0.152412D+02  0.390866D+01  0.154365D+01
                56            57            58            59            60 
      1   0.379058D+02  0.744725D+01 -0.621643D+01  0.190083D+02  0.640035D+01
      2  -0.315240D+02 -0.387297D+01  0.621965D+01 -0.215384D+02 -0.688993D+01
      3  -0.638183D+01 -0.357428D+01 -0.321592D-02  0.253009D+01  0.489586D+00
      4  -0.507308D+02 -0.789874D+01  0.140045D+02  0.491504D+01 -0.880238D+00
      5  -0.422673D+01 -0.644759D+01  0.417397D+01 -0.862783D+00  0.520297D+01
      6  -0.646934D+01 -0.900361D+01  0.356960D+01 -0.828407D+01  0.593305D+01
                61            62            63            64            65 
      1  -0.154236D+01  0.117291D+02 -0.230194D+02  0.177094D+01  0.416474D+00
      2   0.203255D+01 -0.159325D+02  0.933462D+01  0.218066D+01 -0.251788D+01
      3  -0.490192D+00  0.420340D+01  0.136848D+02 -0.395160D+01  0.210140D+01
      4   0.158920D+01 -0.111435D+02  0.576165D+01 -0.919563D+01  0.972402D+01
      5  -0.249218D+00  0.101681D+02 -0.714524D+00  0.203981D+01 -0.980560D+00
      6  -0.548497D+01  0.185091D+02  0.770660D+00 -0.154292D+01  0.133277D+01
                66            67            68            69            70 
      1   0.629531D+00  0.363947D+01 -0.187647D+02 -0.856180D+00  0.273670D+01
      2  -0.297090D+00 -0.805778D+01  0.257927D+02  0.747370D+00 -0.214487D+01
      3  -0.332440D+00  0.441831D+01 -0.702801D+01  0.108810D+00 -0.591831D+00
      4  -0.947655D-01  0.134833D+02 -0.188581D+02 -0.763383D+00  0.832248D+00
      5   0.105834D+01 -0.700448D+00 -0.636545D+00 -0.242839D+01  0.603230D+00
      6  -0.972608D+00  0.152441D+01 -0.230879D+01  0.476288D+01 -0.200539D+01
                71            72            73            74            75 
      1  -0.296578D+01 -0.274621D+01  0.154579D+01 -0.498859D+01 -0.206307D+01
      2   0.303144D+01  0.315697D+01  0.486687D+01  0.101754D+02  0.139221D+01
      3  -0.656587D-01 -0.410760D+00 -0.641266D+01 -0.518676D+01  0.670865D+00
      4  -0.211822D+01 -0.125898D+01  0.215385D+02  0.201101D+02  0.535066D+01
      5  -0.192111D+00 -0.168410D+00  0.821434D+01  0.570000D+01  0.504725D+01
      6   0.216638D+01  0.983709D+00  0.725648D+01  0.729113D+01  0.483538D+01
                76            77            78            79            80 
      1  -0.946710D+01 -0.201254D+02 -0.649046D+01 -0.965693D+00 -0.444292D+01
      2   0.157025D+02  0.290149D+02  0.536742D+01  0.362096D+01  0.499261D+01
      3  -0.623543D+01 -0.888949D+01  0.112303D+01 -0.265527D+01 -0.549687D+00
      4   0.227588D+02  0.284159D+02  0.672752D+01  0.681819D+01  0.665574D+01
      5   0.627038D+01  0.711921D+01  0.493794D+01  0.255497D+01  0.375350D+01
      6   0.980493D+01  0.142022D+02  0.888379D+01  0.177879D+01  0.579254D+01
                81            82            83            84            85 
      1  -0.202028D+01 -0.477110D+01  0.919774D+01  0.113693D+01  0.817842D+01
      2   0.245815D+01  0.791706D+01 -0.135122D+02 -0.105222D+01 -0.105048D+02
      3  -0.437865D+00 -0.314596D+01  0.431447D+01 -0.847058D-01  0.232640D+01
      4   0.464260D+01 -0.777879D+01  0.143974D+02  0.210789D+01  0.954566D+01
      5   0.260931D+01 -0.260310D+01  0.366345D+01  0.271133D+01  0.252406D+01
      6   0.367622D+01  0.266474D+01 -0.347472D+01 -0.283229D+01 -0.358279D+01
                86            87            88            89            90 
      1  -0.432795D+02 -0.737754D+01  0.104163D+01 -0.637980D+01 -0.293771D+01
      2   0.568929D+02  0.660058D+01 -0.155970D+01  0.689851D+01  0.317633D+01
      3  -0.136134D+02  0.776962D+00  0.518072D+00 -0.518717D+00 -0.238629D+00
      4  -0.197145D+02 -0.295393D+01  0.151526D+01 -0.121519D+01 -0.261926D+01
      5  -0.614761D+01 -0.270139D+01  0.149590D+01 -0.266313D+01 -0.804913D+00
      6   0.151629D+02  0.933595D+01 -0.334493D+00  0.617125D+01  0.280564D+01
                91            92            93            94            95 
      1  -0.266035D+02 -0.163074D+02  0.115012D+02 -0.112456D+02 -0.372999D+01
      2   0.219080D+02  0.140435D+02 -0.609955D+01  0.114630D+02  0.357156D+01
      3   0.469543D+01  0.226392D+01 -0.540163D+01 -0.217390D+00  0.158429D+00
      4  -0.189512D+02 -0.151943D+02  0.328753D+01 -0.249014D+02  0.127748D+02
      5   0.147470D+02  0.275500D+01 -0.226613D+02 -0.157746D+00 -0.258624D+02
      6   0.617934D+00 -0.456846D+01 -0.580369D+00 -0.702990D+01  0.211475D+01
                96            97            98            99           100 
      1  -0.186745D+01  0.267749D+02  0.543937D+01 -0.173006D+02 -0.645453D+02
      2   0.592254D+01 -0.180251D+02  0.520407D+00  0.128981D+02  0.378153D+02
      3  -0.405509D+01 -0.874980D+01 -0.595977D+01  0.440244D+01  0.267300D+02
      4  -0.261662D+02  0.678781D+01 -0.196478D+02 -0.140981D+02  0.195969D+02
      5  -0.760668D+01 -0.378833D+02 -0.145791D+02 -0.207020D+01 -0.287991D+02
      6  -0.886328D+01 -0.624283D+01 -0.371885D+01 -0.642941D+01  0.428816D+01
               101           102           103           104           105 
      1   0.192365D+02 -0.265948D+02 -0.627650D+00  0.105282D+02 -0.253274D+01
      2  -0.138583D+02  0.811688D+01 -0.338650D+01 -0.763095D+01 -0.141619D+02
      3  -0.537827D+01  0.184779D+02  0.401415D+01 -0.289728D+01  0.166946D+02
      4   0.160466D+02 -0.387679D+01  0.208767D+02 -0.145848D+02  0.258933D+02
      5  -0.499983D+01  0.188734D+02 -0.740443D+01  0.263116D+02  0.105215D+02
      6   0.580693D+01 -0.114462D+02  0.861670D+01 -0.110456D+02 -0.413276D+01
               106           107           108           109           110 
      1  -0.190338D+02 -0.633853D+01  0.348446D+02 -0.825615D+02 -0.157687D+02
      2   0.858000D+01 -0.110758D+02 -0.162999D+02  0.300350D+02 -0.873712D+00
      3   0.104538D+02  0.174143D+02 -0.185447D+02  0.525265D+02  0.166424D+02
      4  -0.549576D+01  0.167676D+02  0.147621D+02 -0.299617D+02 -0.250160D+02
      5   0.127245D+02  0.188218D+02 -0.112507D+02  0.106779D+02  0.647952D+01
      6  -0.676617D+01 -0.886662D+01  0.137308D+02  0.153207D+01  0.211522D+01
               111           112           113           114           115 
      1   0.423612D+01 -0.178272D+02 -0.970203D+01  0.258496D+01 -0.344198D+02
      2  -0.148078D+00  0.327847D+01  0.528624D+01 -0.424763D+00  0.253973D+02
      3  -0.408804D+01  0.145488D+02  0.441579D+01 -0.216019D+01  0.902246D+01
      4   0.416888D+01  0.488394D+01 -0.119643D+02  0.173552D+01 -0.391730D+01
      5  -0.969172D+01  0.366220D+01  0.296672D+01 -0.141318D+01  0.280038D+02
      6  -0.255037D+01  0.391489D+01  0.107127D+01  0.250432D+01  0.877431D+01
               116           117           118           119           120 
      1  -0.289890D+01  0.224699D+02  0.105659D+02  0.810655D+01  0.533242D+01
      2   0.394082D+01 -0.648230D+01 -0.868409D+01 -0.573078D+01 -0.507656D+01
      3  -0.104192D+01 -0.159876D+02 -0.188182D+01 -0.237577D+01 -0.255868D+00
      4   0.118384D+01  0.546073D+01  0.144547D+02  0.114838D+02  0.438229D+01
      5   0.563899D+01 -0.394283D+01  0.137411D+02  0.536569D+01  0.156491D+02
      6  -0.128669D+01  0.101984D+01  0.550469D+01  0.281865D+01  0.306002D+01
               121           122           123           124           125 
      1   0.162799D+02  0.647767D+00 -0.101359D+01  0.718380D+01 -0.158439D+01
      2  -0.105517D+02 -0.618904D+00 -0.221741D+01 -0.813633D+01 -0.323288D+01
      3  -0.572823D+01 -0.288629D-01  0.323099D+01  0.952533D+00  0.481727D+01
      4   0.156442D+02  0.196395D+02  0.158381D+02  0.607014D+01  0.152929D+02
      5   0.105838D+02  0.161636D+02  0.151405D+02  0.223979D+02  0.142274D+02
      6   0.475692D+01  0.969933D+01  0.989966D+01  0.507183D+01  0.847479D+01
               126           127           128           129           130 
      1  -0.474033D+00 -0.641106D+01 -0.977343D+01  0.197250D+02 -0.220716D+01
      2  -0.102980D+02  0.215075D+00  0.598077D+01 -0.473053D+01  0.123249D+01
      3   0.107720D+02  0.619599D+01  0.379266D+01 -0.149945D+02  0.974676D+00
      4   0.143504D+02  0.168246D+00 -0.575933D+01  0.163250D+01  0.319815D+00
      5   0.287302D+02  0.508512D+01  0.384672D+01 -0.825326D+01 -0.663548D+00
      6   0.980474D+01 -0.427439D+01 -0.588415D+01  0.951469D+01 -0.130268D+01
               131           132           133           134           135 
      1  -0.127188D+02  0.112393D+02  0.127640D+02  0.134776D+02 -0.361303D+02
      2   0.757430D+01 -0.445548D+01 -0.495325D+01 -0.350270D+01 -0.109254D+01
      3   0.514447D+01 -0.678386D+01 -0.781078D+01 -0.997491D+01  0.372228D+02
      4  -0.743573D+01  0.657827D+01 -0.641928D+01  0.117798D+02 -0.143460D+02
      5   0.634282D+01 -0.103137D+02  0.492300D+01 -0.172956D+02  0.401952D+02
      6  -0.926145D+01  0.136370D+02  0.479768D+00  0.160173D+02 -0.278427D+02
               136           137           138           139           140 
      1   0.240158D+01 -0.812939D+01 -0.168865D+01 -0.666221D+01 -0.137988D+02
      2   0.155869D+01  0.631907D+01  0.235399D+01  0.139747D+01  0.273174D+02
      3  -0.396028D+01  0.181032D+01 -0.665333D+00  0.526474D+01 -0.135186D+02
      4  -0.483264D+01 -0.119992D+01  0.177675D+01  0.834022D+01 -0.294142D+02
      5  -0.232776D+01 -0.925067D-01 -0.348638D+01  0.314628D+00 -0.130680D+02
      6   0.175244D+01 -0.759012D+00  0.261174D+01 -0.550570D+00  0.394349D+01
               141           142           143           144           145 
      1  -0.422491D+01 -0.613956D+01 -0.412889D+01 -0.915818D+01  0.103379D+03
      2   0.114454D+02  0.193989D+01  0.139455D+02  0.105298D+02 -0.548486D+02
      3  -0.722053D+01  0.419967D+01 -0.981656D+01 -0.137161D+01 -0.485302D+02
      4  -0.118428D+02  0.930684D+01 -0.213514D+02 -0.108292D+02 -0.431362D+02
      5  -0.118230D+02 -0.758324D+00 -0.120328D+02 -0.163246D+02  0.387598D+02
      6   0.740175D+01  0.769505D+00  0.642412D+01  0.775176D+01 -0.840048D+01
               146           147           148           149           150 
      1  -0.150789D+02  0.152069D+02 -0.403907D+01  0.899378D+01 -0.346854D+00
      2   0.464325D+01 -0.106899D+02 -0.144466D+01 -0.309527D+01  0.631545D+00
      3   0.104356D+02 -0.451698D+01  0.548373D+01 -0.589851D+01 -0.284690D+00
      4   0.200047D+02 -0.830404D+01  0.143514D+02 -0.486086D+01  0.292152D+00
      5  -0.768453D+01  0.186123D+02 -0.754428D+00  0.184336D+01 -0.643575D+00
      6   0.449742D+01 -0.468380D+01  0.317797D+01 -0.210146D+00  0.207569D+01
               151           152           153           154           155 
      1   0.105682D+02 -0.910895D+00  0.741862D+01  0.187678D+03  0.316123D+02
      2  -0.885237D+01  0.231052D+01 -0.637917D+01 -0.852966D+02 -0.845278D+01
      3  -0.171584D+01 -0.139963D+01 -0.103945D+01 -0.102382D+03 -0.231595D+02
      4  -0.417471D+01  0.211882D+00 -0.605233D+01  0.507846D+02  0.462035D+02
      5   0.182840D+02 -0.494644D+01  0.104144D+02 -0.325915D+02 -0.878359D+01
      6  -0.399297D+01  0.294556D+01 -0.343186D+01 -0.145575D+01 -0.419611D+01
               156           157           158           159           160 
      1  -0.713608D+01  0.300101D+02  0.334595D+02  0.277539D+00 -0.942767D+01
      2   0.854979D+01 -0.597676D+01 -0.727914D+01  0.418235D+00  0.942203D+01
      3  -0.141372D+01 -0.240333D+02 -0.261804D+02 -0.695775D+00  0.564213D-02
      4  -0.607581D+01  0.528480D+02  0.366336D+02 -0.446317D+01 -0.539567D+01
      5   0.378923D+02 -0.539123D+01 -0.808296D+01  0.827274D+01  0.382015D+02
      6   0.342921D+01 -0.814710D+01 -0.478556D+01  0.624512D+01  0.458141D+01
               161           162           163           164           165 
      1  -0.117912D+01  0.221012D+02  0.472853D+02  0.919080D+01 -0.170583D+02
      2   0.118617D+01 -0.147460D+02 -0.318775D+02 -0.397601D+01  0.104463D+02
      3  -0.705727D-02 -0.735517D+01 -0.154079D+02 -0.521479D+01  0.661207D+01
      4  -0.328874D+01  0.911359D+01  0.139901D+02  0.760825D+01 -0.113955D+01
      5   0.905290D+01 -0.990119D+01 -0.311086D+02 -0.161484D+01  0.191332D+02
      6   0.569497D+01 -0.226547D+01 -0.543312D+01 -0.996570D+00  0.886320D+00
               166           167           168           169           170 
      1   0.141794D+02 -0.959327D+01  0.110006D+01  0.144475D+01  0.264055D+01
      2  -0.816005D+01  0.309800D+01 -0.119215D+01  0.197533D+01 -0.167862D+01
      3  -0.601939D+01  0.649527D+01  0.920901D-01 -0.342008D+01 -0.961931D+00
      4   0.450300D+01 -0.199814D+01 -0.878249D+01  0.134819D+01 -0.431654D+01
      5  -0.571650D+01 -0.831067D+01  0.907263D+00  0.126434D+02  0.103537D+01
      6  -0.214827D+01 -0.180937D+01  0.115075D+02 -0.109645D+01  0.991571D+01
               171           172           173           174           175 
      1  -0.306545D+02 -0.473561D+02 -0.466781D+01 -0.192827D+01 -0.123218D+02
      2  -0.113785D+02  0.287916D+02  0.275998D+01 -0.660251D+01  0.845163D+01
      3   0.420330D+02  0.185645D+02  0.190784D+01  0.853078D+01  0.387014D+01
      4  -0.956660D+00 -0.104282D+02 -0.458500D+01  0.109894D+01 -0.145067D+01
      5  -0.365602D+02  0.243104D+02  0.179626D+01 -0.150861D+02  0.564005D+01
      6  -0.218364D+01  0.460733D+01  0.318244D+01 -0.130272D+01  0.145817D+01
               176           177           178           179           180 
      1  -0.405538D+01 -0.224434D+00  0.135827D+02  0.182547D+01 -0.839847D+01
      2   0.265354D+01 -0.205536D+01 -0.126758D+02 -0.159483D+01  0.523155D+01
      3   0.140184D+01  0.227980D+01 -0.906925D+00 -0.230644D+00  0.316693D+01
      4  -0.490238D+00 -0.186469D+01  0.498927D+01  0.775278D+00 -0.190964D+01
      5  -0.153387D+01 -0.439239D+01 -0.129222D+02 -0.126356D+01  0.505402D+01
      6   0.110200D+01  0.204304D+01 -0.196831D+01  0.429999D+00  0.136450D+01
               181           182           183           184           185 
      1   0.302438D+02 -0.528552D+02 -0.731037D+01  0.404788D+02  0.247462D+02
      2  -0.148076D+02  0.420759D+02  0.359579D+01 -0.290365D+02 -0.244058D+02
      3  -0.154362D+02  0.107793D+02  0.371457D+01 -0.114423D+02 -0.340344D+00
      4  -0.123760D+02  0.349850D+02 -0.140599D+01  0.116156D+02 -0.329119D+02
      5  -0.887782D+01 -0.334054D+01  0.897833D+01 -0.892131D+00 -0.107699D+02
      6  -0.652912D+01  0.538860D+00  0.799359D+01 -0.698457D+01 -0.957436D+01
               186           187           188           189           190 
      1   0.649194D+01  0.524320D+01 -0.567838D+01  0.951766D+00  0.137577D+03
      2  -0.699883D+01 -0.125625D+02 -0.211821D+01 -0.756374D+01 -0.732766D+02
      3   0.506886D+00  0.731933D+01  0.779659D+01  0.661197D+01 -0.643004D+02
      4  -0.101452D+02 -0.104088D+02 -0.106633D+02  0.182095D+02  0.159082D+01
      5   0.546057D+01  0.276975D+02  0.153556D+02  0.993207D+01  0.229611D+01
      6   0.152683D+01  0.196680D+02  0.122246D+02  0.531016D+01 -0.303257D+01
               191           192           193           194           195 
      1   0.126690D+02  0.128240D+02  0.558978D+02 -0.440447D+02 -0.636309D+01
      2   0.472377D+00 -0.426143D+01 -0.219261D+02  0.440342D+02  0.111684D+02
      3  -0.131414D+02 -0.856257D+01 -0.339717D+02  0.104319D-01 -0.480530D+01
      4   0.143135D+02  0.135401D+01 -0.418292D+02  0.577010D+02  0.455701D+01
      5   0.271969D+01  0.501443D+01 -0.116376D+02  0.729946D+01  0.237323D+01
      6  -0.558804D-01  0.267489D+01 -0.326643D+01  0.845487D+01 -0.394827D+01
               196           197           198           199           200 
      1   0.157150D+02 -0.115941D+02  0.213958D+02 -0.112503D+03  0.209997D+02
      2  -0.856129D+01  0.107074D+02 -0.186369D+02  0.470271D+02 -0.210245D+02
      3  -0.715375D+01  0.886718D+00 -0.275891D+01  0.654760D+02  0.247654D-01
      4  -0.161842D+02  0.954042D+01  0.350394D+01  0.274834D+02 -0.303733D+02
      5   0.436443D+02  0.886516D+01  0.776365D+01 -0.533549D+01 -0.272477D+01
      6   0.151321D+01  0.537522D+01 -0.289563D+01  0.225873D+01 -0.472654D+01
               201           202           203           204           205 
      1  -0.611907D+01 -0.907213D+02  0.109369D+02 -0.306774D+01 -0.290494D+02
      2   0.113377D+01  0.548458D+02 -0.187341D+02 -0.440508D+00  0.166502D+02
      3   0.498529D+01  0.358755D+02  0.779716D+01  0.350824D+01  0.123993D+02
      4  -0.130046D+01  0.194956D+02 -0.183623D+02  0.328036D+01  0.866811D+01
      5   0.613075D+01 -0.257376D+01  0.193307D+01 -0.101083D+02  0.268851D+01
      6  -0.628008D+00  0.584574D+01 -0.691548D+01  0.590111D+01 -0.901591D+00
               206           207           208           209           210 
      1   0.105874D+02 -0.153020D+02  0.100171D+02  0.499401D+01 -0.168152D+01
      2  -0.104721D+02 -0.243672D+01 -0.796278D+01 -0.384075D+01 -0.993529D+00
      3  -0.115321D+00  0.177387D+02 -0.205432D+01 -0.115326D+01  0.267505D+01
      4  -0.976083D+00 -0.156604D+02  0.164537D+02  0.120398D+02 -0.243676D+00
      5  -0.199847D+02 -0.110273D+02  0.497757D+01 -0.134310D+01  0.205956D+02
      6   0.849607D+01 -0.111854D+01  0.723272D+00  0.216927D+01 -0.268016D+01
               211           212           213           214           215 
      1   0.173753D+02  0.318024D+01  0.442463D+01  0.172868D+01 -0.801850D+00
      2  -0.878834D+01 -0.807506D+00 -0.465058D+01 -0.322012D+01 -0.127860D+01
      3  -0.858695D+01 -0.237274D+01  0.225951D+00  0.149144D+01  0.208045D+01
      4   0.252676D+02  0.199939D+02  0.599163D+01  0.305619D+01  0.248033D+01
      5   0.562883D+01  0.451742D+01 -0.117509D+02  0.146923D+02  0.561812D+01
      6   0.589318D+00 -0.113045D+01  0.100508D+02  0.147613D+01  0.397201D+01
               216           217           218           219           220 
      1   0.428182D+01 -0.935138D+02 -0.579305D+01 -0.164146D+02 -0.234377D+02
      2  -0.446357D+01  0.529697D+02  0.201765D+00  0.972342D+01  0.986991D+01
      3   0.181757D+00  0.405441D+02  0.559129D+01  0.669114D+01  0.135678D+02
      4   0.667786D+01 -0.857437D+01  0.213496D+02 -0.353503D+01  0.412340D+00
      5   0.468048D+01 -0.159049D+02 -0.401503D+01  0.859247D+01 -0.959504D+01
      6   0.248836D+01  0.105022D+01  0.268409D+01 -0.339696D+01  0.999210D+00
               221           222           223           224           225 
      1   0.195840D+02 -0.158267D+02 -0.180063D+02 -0.970066D+01  0.145904D+02
      2  -0.116514D+02  0.118754D+02  0.789803D+01  0.802651D+01 -0.106320D+02
      3  -0.793267D+01  0.395131D+01  0.101082D+02  0.167415D+01 -0.395840D+01
      4   0.615848D+01 -0.134642D+02 -0.592792D+01 -0.828886D+01  0.341092D+02
      5  -0.135545D+02  0.559181D+02 -0.111520D+02  0.352432D+02  0.285249D+02
      6   0.681004D+01 -0.204598D+02  0.702048D+01 -0.140575D+02 -0.559703D+01
               226           227           228           229           230 
      1  -0.835138D+01  0.165659D+02  0.165492D+01  0.825753D+01 -0.510276D+02
      2   0.941141D+01 -0.182729D+02 -0.156229D+01 -0.905072D+01  0.647095D+02
      3  -0.106003D+01  0.170708D+01 -0.926305D-01  0.793189D+00 -0.136819D+02
      4  -0.216281D+01  0.512649D+01  0.757015D+00  0.281973D+01  0.129642D+02
      5  -0.794841D+00  0.131200D+01  0.974618D+00  0.278376D+00 -0.742392D+00
      6   0.816457D+00 -0.140792D+01 -0.262617D+01 -0.154573D+01  0.758337D+01
               231           232           233           234           235 
      1  -0.719438D+01  0.355398D+00 -0.671375D+01 -0.258100D+01  0.261257D+02
      2   0.691827D+01 -0.996247D+00  0.760375D+01  0.338969D+01 -0.389990D+01
      3   0.276112D+00  0.640849D+00 -0.889998D+00 -0.808695D+00 -0.222258D+02
      4   0.143569D+01 -0.159529D+00  0.261076D+01 -0.630113D+00  0.428061D+02
      5   0.147801D+01  0.188752D+01 -0.191879D+00  0.355498D+00  0.102244D+02
      6   0.827494D+01  0.267271D+00  0.509404D+01  0.217015D+01  0.617326D+01
               236           237           238           239           240 
      1   0.132452D+02  0.430191D+01  0.101024D+02  0.232068D+01  0.466833D+00
      2   0.353323D+01 -0.109473D+01  0.100945D+02  0.210182D+02  0.280934D+01
      3  -0.167784D+02 -0.320719D+01 -0.201969D+02 -0.233389D+02 -0.327618D+01
      4   0.373147D+02  0.946422D+01  0.445603D+02  0.545559D+02  0.119541D+02
      5   0.719877D+01  0.798509D+01  0.898395D+01  0.911408D+01  0.863810D+01
      6   0.522649D+01  0.488590D+01  0.758153D+01  0.947977D+01  0.792072D+01
               241           242           243           244           245 
      1   0.507252D+01  0.152341D+01 -0.130162D+00  0.125750D+02 -0.112139D+02
      2   0.109269D+01  0.297859D+01  0.188325D+01 -0.378116D+01  0.317518D+01
      3  -0.616520D+01 -0.450200D+01 -0.175309D+01 -0.879385D+01  0.803876D+01
      4   0.129736D+02  0.128221D+02  0.738662D+01 -0.187933D+02  0.149139D+02
      5   0.318198D+01  0.555926D+01  0.404910D+01 -0.213341D+01  0.116813D+01
      6   0.178745D+01  0.524672D+01  0.331915D+01  0.512083D+00 -0.466177D-01
               246           247           248           249           250 
      1  -0.674155D+00 -0.130483D+02 -0.276601D+01 -0.101707D+01 -0.606543D+00
      2   0.197358D+00  0.244549D+00  0.154129D+02  0.710358D+00  0.132109D-02
      3   0.476797D+00  0.128038D+02 -0.126469D+02  0.306708D+00  0.605222D+00
      4   0.545715D+00  0.259533D+02 -0.386462D+02 -0.377987D+01  0.254589D+01
      5   0.184982D+01  0.345386D+01 -0.622128D+01 -0.521737D+01  0.143471D+01
      6  -0.840888D+00 -0.131239D+01  0.300197D+01  0.456512D+01 -0.238488D+01
               251           252           253           254           255 
      1  -0.170739D+01 -0.147288D+01  0.200121D+03 -0.301811D+01  0.173366D+02
      2   0.215322D+01  0.218519D+01 -0.104943D+03 -0.374057D+00 -0.100854D+02
      3  -0.445827D+00 -0.712304D+00 -0.951774D+02  0.339217D+01 -0.725124D+01
      4  -0.532527D+01 -0.153294D+01 -0.202486D+02  0.156018D+02 -0.170624D+01
      5  -0.815014D+00 -0.875855D+00  0.194248D+02 -0.289027D+00  0.184706D+02
      6   0.206633D+01  0.131235D+01 -0.314936D+01  0.706178D+00 -0.229658D+01
               256           257           258           259           260 
      1   0.211308D+02  0.157025D+02  0.297920D+01  0.210983D+02  0.983233D+00
      2  -0.135032D+02 -0.802911D+01 -0.231222D+01 -0.125384D+02 -0.119719D+01
      3  -0.762758D+01 -0.767336D+01 -0.666983D+00 -0.855989D+01  0.213961D+00
      4   0.172692D+02  0.387645D+01  0.347871D+01 -0.200445D+01  0.379920D+01
      5   0.202861D+01  0.373889D+01  0.635597D+00  0.247485D+02 -0.320048D+01
      6   0.520803D+00 -0.537711D+00  0.165733D+01 -0.281603D+01  0.238046D+01
               261           262           263           264           265 
      1   0.174853D+02  0.783858D+01 -0.335401D+01 -0.109854D+02 -0.385619D+01
      2  -0.102974D+02 -0.447827D+01  0.246852D+01  0.476626D+01 -0.329598D-03
      3  -0.718792D+01 -0.336030D+01  0.885483D+00  0.621911D+01  0.385652D+01
      4  -0.438824D+01 -0.144660D+01 -0.131405D+01  0.420093D+01  0.161616D+02
      5   0.528743D+01 -0.106363D+02  0.291501D+01 -0.177617D+01  0.116794D+02
      6  -0.526757D+00  0.311108D+01 -0.626766D+00  0.190722D+01 -0.404445D+01
               266           267           268           269           270 
      1   0.984536D+00  0.237061D+01 -0.301497D+02  0.787088D+01  0.337441D+00
      2   0.325294D+01  0.130424D+01  0.166126D+02 -0.214937D+01 -0.614514D+01
      3  -0.423748D+01 -0.367486D+01  0.135371D+02 -0.572151D+01  0.580770D+01
      4  -0.200762D+02 -0.159510D+02  0.230466D+02 -0.206234D+02 -0.225649D+02
      5  -0.163527D+02 -0.222832D+02  0.293642D+02 -0.232759D+02 -0.632716D+02
      6   0.634707D+01  0.102979D+02 -0.851362D+01  0.101112D+02  0.174069D+02
               271           272           273           274           275 
      1  -0.443180D+01 -0.585304D+01  0.126201D+02 -0.899183D+01 -0.781218D+01
      2   0.212327D+01  0.504185D+01 -0.620249D+01  0.179109D+01  0.142796D+02
      3   0.230853D+01  0.811192D+00 -0.641761D+01  0.720074D+01 -0.646745D+01
      4   0.231494D+01 -0.673239D+01  0.203372D+01  0.201790D+02 -0.397813D+02
      5   0.707140D+01  0.305687D+01 -0.871784D+01 -0.802617D+01  0.235109D+02
      6  -0.202197D+01 -0.300002D+01  0.487772D+01  0.478519D+01 -0.140696D+02
               276           277           278           279 
      1   0.816734D+01  0.217164D+02  0.316023D+01 -0.107757D+02
      2  -0.861392D+01 -0.975220D+01 -0.471488D+01  0.338896D+01
      3   0.446581D+00 -0.119642D+02  0.155465D+01  0.738674D+01
      4   0.244374D+02 -0.156447D+02  0.243243D+02 -0.247733D+02
      5  -0.266514D+02  0.144480D+02 -0.251192D+02  0.334997D+02
      6   0.137404D+02 -0.632829D+01  0.133622D+02 -0.150701D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Tue Aug 17 19:42:53 2021, MaxMem=  5368709120 cpu:           39265.2 elap:            4922.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.50851 -19.50766 -19.44939 -10.57889 -10.52210
 Alpha  occ. eigenvalues --  -10.50563 -10.47404 -10.47180 -10.47140 -10.46664
 Alpha  occ. eigenvalues --  -10.46497 -10.46387 -10.46207 -10.46131 -10.45836
 Alpha  occ. eigenvalues --  -10.45575 -10.44870  -1.23408  -1.21146  -1.14291
 Alpha  occ. eigenvalues --   -1.03563  -0.98897  -0.94459  -0.92143  -0.89395
 Alpha  occ. eigenvalues --   -0.86776  -0.84237  -0.79624  -0.76428  -0.74570
 Alpha  occ. eigenvalues --   -0.74052  -0.72680  -0.67130  -0.66260  -0.65146
 Alpha  occ. eigenvalues --   -0.63474  -0.61069  -0.60192  -0.59110  -0.58273
 Alpha  occ. eigenvalues --   -0.57932  -0.56870  -0.55575  -0.55357  -0.53622
 Alpha  occ. eigenvalues --   -0.53577  -0.52989  -0.51178  -0.50043  -0.48993
 Alpha  occ. eigenvalues --   -0.48845  -0.48379  -0.46844  -0.45974  -0.44490
 Alpha  occ. eigenvalues --   -0.43429  -0.43139  -0.41111  -0.38605  -0.34178
 Alpha  occ. eigenvalues --   -0.31659
 Alpha virt. eigenvalues --    0.00881   0.03300   0.03696   0.04085   0.04981
 Alpha virt. eigenvalues --    0.06174   0.06684   0.07134   0.07479   0.08156
 Alpha virt. eigenvalues --    0.08683   0.09127   0.09975   0.10104   0.10610
 Alpha virt. eigenvalues --    0.11966   0.12172   0.12918   0.13278   0.13963
 Alpha virt. eigenvalues --    0.14865   0.15272   0.15570   0.16384   0.16564
 Alpha virt. eigenvalues --    0.17204   0.17964   0.18162   0.18963   0.19460
 Alpha virt. eigenvalues --    0.19836   0.20354   0.20437   0.20991   0.22040
 Alpha virt. eigenvalues --    0.22324   0.22807   0.23488   0.23817   0.24191
 Alpha virt. eigenvalues --    0.25110   0.25292   0.25900   0.26457   0.26831
 Alpha virt. eigenvalues --    0.27334   0.27864   0.28319   0.28696   0.29369
 Alpha virt. eigenvalues --    0.29805   0.30673   0.31020   0.31166   0.31623
 Alpha virt. eigenvalues --    0.32186   0.32594   0.32683   0.33224   0.33443
 Alpha virt. eigenvalues --    0.33705   0.34392   0.34814   0.35230   0.35411
 Alpha virt. eigenvalues --    0.35740   0.35998   0.36488   0.36506   0.36988
 Alpha virt. eigenvalues --    0.37619   0.38220   0.38388   0.38673   0.38905
 Alpha virt. eigenvalues --    0.39150   0.39644   0.39839   0.39999   0.40261
 Alpha virt. eigenvalues --    0.40776   0.41079   0.41471   0.41566   0.42044
 Alpha virt. eigenvalues --    0.42314   0.42717   0.43083   0.43495   0.43658
 Alpha virt. eigenvalues --    0.44199   0.44594   0.44878   0.45345   0.45635
 Alpha virt. eigenvalues --    0.45843   0.46162   0.46575   0.47019   0.47463
 Alpha virt. eigenvalues --    0.47896   0.47959   0.48254   0.48863   0.49033
 Alpha virt. eigenvalues --    0.49726   0.50562   0.51059   0.51401   0.51513
 Alpha virt. eigenvalues --    0.52208   0.52518   0.52991   0.53048   0.53682
 Alpha virt. eigenvalues --    0.53731   0.53943   0.54667   0.55029   0.55152
 Alpha virt. eigenvalues --    0.56226   0.56529   0.56692   0.57182   0.57803
 Alpha virt. eigenvalues --    0.58299   0.58862   0.59675   0.60213   0.60526
 Alpha virt. eigenvalues --    0.61064   0.61521   0.61931   0.62311   0.63090
 Alpha virt. eigenvalues --    0.63710   0.64407   0.65008   0.65294   0.65397
 Alpha virt. eigenvalues --    0.65737   0.66308   0.67079   0.67693   0.68170
 Alpha virt. eigenvalues --    0.68601   0.69204   0.69947   0.70495   0.70952
 Alpha virt. eigenvalues --    0.71071   0.71672   0.72029   0.72526   0.73590
 Alpha virt. eigenvalues --    0.73619   0.74881   0.75054   0.75884   0.76480
 Alpha virt. eigenvalues --    0.76592   0.77102   0.77977   0.78462   0.78835
 Alpha virt. eigenvalues --    0.79342   0.79973   0.80354   0.80762   0.81500
 Alpha virt. eigenvalues --    0.82864   0.82964   0.83241   0.84029   0.84325
 Alpha virt. eigenvalues --    0.85130   0.87355   0.87618   0.88422   0.89091
 Alpha virt. eigenvalues --    0.89284   0.89778   0.90219   0.91236   0.92752
 Alpha virt. eigenvalues --    0.93112   0.93892   0.95073   0.96627   0.97429
 Alpha virt. eigenvalues --    0.98054   0.99930   1.00825   1.01853   1.02117
 Alpha virt. eigenvalues --    1.02771   1.03652   1.04244   1.04886   1.05780
 Alpha virt. eigenvalues --    1.06314   1.07216   1.07457   1.07876   1.08069
 Alpha virt. eigenvalues --    1.08665   1.09197   1.10049   1.10123   1.10708
 Alpha virt. eigenvalues --    1.11431   1.13246   1.13484   1.15157   1.16986
 Alpha virt. eigenvalues --    1.17089   1.18284   1.19193   1.20099   1.21011
 Alpha virt. eigenvalues --    1.21794   1.22971   1.24270   1.24810   1.25313
 Alpha virt. eigenvalues --    1.25635   1.27315   1.27790   1.28214   1.29516
 Alpha virt. eigenvalues --    1.29907   1.31442   1.32166   1.33291   1.33785
 Alpha virt. eigenvalues --    1.35657   1.36404   1.37303   1.38404   1.39550
 Alpha virt. eigenvalues --    1.40355   1.41552   1.42161   1.43583   1.44471
 Alpha virt. eigenvalues --    1.45966   1.47692   1.48722   1.49765   1.51283
 Alpha virt. eigenvalues --    1.53125   1.54140   1.54806   1.55836   1.57546
 Alpha virt. eigenvalues --    1.58337   1.59630   1.61619   1.62261   1.62512
 Alpha virt. eigenvalues --    1.65417   1.67591   1.68454   1.68726   1.70003
 Alpha virt. eigenvalues --    1.70481   1.72050   1.73523   1.73985   1.75041
 Alpha virt. eigenvalues --    1.75689   1.76125   1.76474   1.77014   1.77638
 Alpha virt. eigenvalues --    1.79436   1.80781   1.81546   1.83287   1.84469
 Alpha virt. eigenvalues --    1.85002   1.86759   1.88221   1.88550   1.89874
 Alpha virt. eigenvalues --    1.92070   1.92612   1.94781   1.95208   1.95508
 Alpha virt. eigenvalues --    1.96165   1.97411   1.98307   1.98805   1.99749
 Alpha virt. eigenvalues --    2.00284   2.01606   2.02273   2.03380   2.04049
 Alpha virt. eigenvalues --    2.05937   2.06696   2.07189   2.08468   2.09279
 Alpha virt. eigenvalues --    2.10884   2.11046   2.11313   2.12727   2.14130
 Alpha virt. eigenvalues --    2.14277   2.14555   2.15595   2.16804   2.17645
 Alpha virt. eigenvalues --    2.18821   2.19654   2.20424   2.21075   2.23671
 Alpha virt. eigenvalues --    2.24290   2.26678   2.28133   2.29004   2.29652
 Alpha virt. eigenvalues --    2.30899   2.31929   2.33250   2.35571   2.36522
 Alpha virt. eigenvalues --    2.37572   2.37818   2.39141   2.39955   2.41695
 Alpha virt. eigenvalues --    2.43190   2.44564   2.46244   2.47395   2.48664
 Alpha virt. eigenvalues --    2.50410   2.50570   2.51100   2.52475   2.53617
 Alpha virt. eigenvalues --    2.54719   2.57241   2.58909   2.60707   2.62107
 Alpha virt. eigenvalues --    2.63112   2.63730   2.63944   2.65455   2.66819
 Alpha virt. eigenvalues --    2.71084   2.74121   2.75625   2.76949   2.79389
 Alpha virt. eigenvalues --    2.84512   2.86486   2.89643   2.92945   2.94356
 Alpha virt. eigenvalues --    2.97290   2.98450   2.98976   2.99339   3.01344
 Alpha virt. eigenvalues --    3.02515   3.03497   3.04017   3.05392   3.07178
 Alpha virt. eigenvalues --    3.10047   3.10887   3.11604   3.16179   3.16457
 Alpha virt. eigenvalues --    3.17453   3.19808   3.20007   3.22496   3.23666
 Alpha virt. eigenvalues --    3.24466   3.27388   3.28336   3.29777   3.33500
 Alpha virt. eigenvalues --    3.35226   3.39568   3.52707   3.54165   3.65839
 Alpha virt. eigenvalues --    3.66235   3.69331   3.86124   3.90175   4.05015
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   14.186101  -2.434596  -2.067106   0.115759  -0.755145  -0.148877
     2  C   -2.434596  13.541310   0.444870  -1.038660   0.412212  -1.281888
     3  C   -2.067106   0.444870  10.425053  -0.887590  -0.018530  -0.574863
     4  C    0.115759  -1.038660  -0.887590  12.209866  -1.328120   0.569239
     5  C   -0.755145   0.412212  -0.018530  -1.328120  10.641956  -0.962265
     6  C   -0.148877  -1.281888  -0.574863   0.569239  -0.962265   9.639661
     7  C   -0.904256  -0.474304  -0.389098   0.161031   0.055394   0.237307
     8  H   -1.172125   0.117684  -0.546233  -1.929590   0.240226   0.245827
     9  H    0.186691  -0.043342   0.074528  -0.994224   0.037502  -0.739442
    10  H    0.123203  -1.169198   0.189702   0.136493  -1.152565  -0.442160
    11  C    0.071380   0.162920  -0.566206  -0.541136  -0.751963   0.091864
    12  C    0.001350  -0.005317  -0.091764   0.042675   0.089151   0.001063
    13  C   -0.033798   0.012205   0.075498   0.291531   0.039652  -0.004694
    14  H    0.016393   0.013677   0.045245  -0.181907  -0.252822   0.038489
    15  H    0.009202   0.000704  -0.082449   0.015206   0.001047  -0.000021
    16  H   -0.004293  -0.000451   0.016795  -0.117084   0.013296   0.000655
    17  H   -0.001924  -0.000375   0.030604   0.021203  -0.006832   0.000049
    18  O    0.001976  -0.002457  -0.000418  -0.024820   0.007039  -0.004906
    19  O    0.013032  -0.000886  -0.009267  -0.047911  -0.010489   0.010166
    20  H   -0.007586  -0.011273   0.015232  -0.016355  -0.025406  -0.000876
    21  C    0.140102  -0.467705   0.080402   0.018211  -0.008639  -0.026097
    22  C   -0.919929   0.308957   0.053685   0.011358   0.018502   0.194388
    23  C    0.070270  -1.217073   0.066279   0.110437   0.067008  -0.769203
    24  O    0.054890   0.014329  -0.004410  -0.001429  -0.001018   0.006840
    25  C   -0.005526  -0.003773   0.000520  -0.000147   0.000373  -0.003327
    26  H   -0.295352   0.131618  -0.071751   0.003572  -0.017150  -0.021344
    27  H   -0.005381   0.024977   0.006650   0.000884   0.000480  -0.001102
    28  H    0.066902  -0.280174  -0.003068  -0.010142   0.030729  -0.010675
    29  H   -0.001326  -0.001651   0.000020   0.000004  -0.000001  -0.000246
    30  H    0.000823   0.000780  -0.000070   0.000005   0.000084   0.000324
    31  H    0.000749   0.000185   0.000004   0.000003   0.000139  -0.000093
               7          8          9         10         11         12
     1  C   -0.904256  -1.172125   0.186691   0.123203   0.071380   0.001350
     2  C   -0.474304   0.117684  -0.043342  -1.169198   0.162920  -0.005317
     3  C   -0.389098  -0.546233   0.074528   0.189702  -0.566206  -0.091764
     4  C    0.161031  -1.929590  -0.994224   0.136493  -0.541136   0.042675
     5  C    0.055394   0.240226   0.037502  -1.152565  -0.751963   0.089151
     6  C    0.237307   0.245827  -0.739442  -0.442160   0.091864   0.001063
     7  C    8.839631  -0.303805  -0.003299  -0.015671   0.002572  -0.002908
     8  H   -0.303805   4.853412   0.034559  -0.026397  -0.081107  -0.091623
     9  H   -0.003299   0.034559   3.759855  -0.857818  -0.482130   0.021581
    10  H   -0.015671  -0.026397  -0.857818   4.054541   0.035929  -0.000410
    11  C    0.002572  -0.081107  -0.482130   0.035929   7.905546   0.279605
    12  C   -0.002908  -0.091623   0.021581  -0.000410   0.279605   4.232543
    13  C   -0.000675  -0.007127   0.054767  -0.000581  -0.790902   0.003269
    14  H   -0.000294   0.013537  -0.140598   0.005237   0.395598  -0.086097
    15  H    0.001029  -0.090998   0.003782   0.000042   0.128596   0.310664
    16  H   -0.002808   0.022459   0.002538  -0.000007   0.061952   0.305009
    17  H    0.000052   0.011031  -0.001871  -0.000008   0.186132   0.138902
    18  O   -0.000126   0.000231  -0.001138  -0.000416   0.003717   0.011408
    19  O   -0.000360   0.008548  -0.016961   0.001738   0.064717  -0.007139
    20  H    0.002054  -0.013893  -0.006224   0.000360  -0.081527  -0.000527
    21  C   -0.343622   0.064660   0.000809  -0.019496   0.000574   0.000106
    22  C    0.358250   0.003430   0.000923  -0.010689  -0.001135  -0.000044
    23  C   -0.529348  -0.035844  -0.002174  -0.176209   0.002491  -0.000245
    24  O    0.010020  -0.000657  -0.000066   0.005326   0.000021  -0.000002
    25  C   -0.002585   0.000009  -0.000010   0.000076  -0.000011   0.000000
    26  H   -0.894865  -0.360616   0.000367   0.001670   0.003717  -0.001207
    27  H    0.022624   0.005075  -0.000015   0.000304  -0.000131   0.000013
    28  H    0.108235   0.004434  -0.002023  -0.164349  -0.000036  -0.000007
    29  H   -0.000269   0.000000   0.000000  -0.000029  -0.000000  -0.000000
    30  H    0.001134  -0.000002   0.000000   0.000147  -0.000001   0.000000
    31  H    0.000926  -0.000001   0.000004  -0.000074  -0.000001   0.000000
              13         14         15         16         17         18
     1  C   -0.033798   0.016393   0.009202  -0.004293  -0.001924   0.001976
     2  C    0.012205   0.013677   0.000704  -0.000451  -0.000375  -0.002457
     3  C    0.075498   0.045245  -0.082449   0.016795   0.030604  -0.000418
     4  C    0.291531  -0.181907   0.015206  -0.117084   0.021203  -0.024820
     5  C    0.039652  -0.252822   0.001047   0.013296  -0.006832   0.007039
     6  C   -0.004694   0.038489  -0.000021   0.000655   0.000049  -0.004906
     7  C   -0.000675  -0.000294   0.001029  -0.002808   0.000052  -0.000126
     8  H   -0.007127   0.013537  -0.090998   0.022459   0.011031   0.000231
     9  H    0.054767  -0.140598   0.003782   0.002538  -0.001871  -0.001138
    10  H   -0.000581   0.005237   0.000042  -0.000007  -0.000008  -0.000416
    11  C   -0.790902   0.395598   0.128596   0.061952   0.186132   0.003717
    12  C    0.003269  -0.086097   0.310664   0.305009   0.138902   0.011408
    13  C    6.402149  -0.088029  -0.040571  -0.026525   0.022872   0.152413
    14  H   -0.088029   0.991494  -0.030654  -0.035252   0.029087  -0.061227
    15  H   -0.040571  -0.030654   0.840071   0.030537  -0.200518   0.012052
    16  H   -0.026525  -0.035252   0.030537   0.731686  -0.086948   0.014070
    17  H    0.022872   0.029087  -0.200518  -0.086948   0.985428  -0.031912
    18  O    0.152413  -0.061227   0.012052   0.014070  -0.031912   7.993985
    19  O   -0.050155   0.020636   0.006561  -0.001181  -0.004480   0.088386
    20  H    0.142944  -0.002584  -0.000945   0.001955   0.000130  -0.013946
    21  C    0.000213   0.000010  -0.000029   0.000181  -0.000001  -0.000007
    22  C    0.000303  -0.000053  -0.000007   0.000004   0.000001  -0.000013
    23  C   -0.000331   0.000134   0.000010   0.000005  -0.000007   0.000044
    24  O   -0.000018   0.000000  -0.000000   0.000000  -0.000000   0.000001
    25  C   -0.000001  -0.000000  -0.000000   0.000000   0.000000   0.000000
    26  H    0.000543  -0.000037   0.000231  -0.001932  -0.000019  -0.000062
    27  H    0.000004  -0.000000  -0.000002   0.000010   0.000000   0.000000
    28  H   -0.000055   0.000007  -0.000003   0.000001  -0.000000   0.000002
    29  H    0.000000  -0.000000  -0.000000  -0.000000   0.000000  -0.000000
    30  H    0.000000  -0.000000  -0.000000  -0.000000   0.000000   0.000000
    31  H   -0.000000  -0.000000  -0.000000  -0.000000   0.000000   0.000000
              19         20         21         22         23         24
     1  C    0.013032  -0.007586   0.140102  -0.919929   0.070270   0.054890
     2  C   -0.000886  -0.011273  -0.467705   0.308957  -1.217073   0.014329
     3  C   -0.009267   0.015232   0.080402   0.053685   0.066279  -0.004410
     4  C   -0.047911  -0.016355   0.018211   0.011358   0.110437  -0.001429
     5  C   -0.010489  -0.025406  -0.008639   0.018502   0.067008  -0.001018
     6  C    0.010166  -0.000876  -0.026097   0.194388  -0.769203   0.006840
     7  C   -0.000360   0.002054  -0.343622   0.358250  -0.529348   0.010020
     8  H    0.008548  -0.013893   0.064660   0.003430  -0.035844  -0.000657
     9  H   -0.016961  -0.006224   0.000809   0.000923  -0.002174  -0.000066
    10  H    0.001738   0.000360  -0.019496  -0.010689  -0.176209   0.005326
    11  C    0.064717  -0.081527   0.000574  -0.001135   0.002491   0.000021
    12  C   -0.007139  -0.000527   0.000106  -0.000044  -0.000245  -0.000002
    13  C   -0.050155   0.142944   0.000213   0.000303  -0.000331  -0.000018
    14  H    0.020636  -0.002584   0.000010  -0.000053   0.000134   0.000000
    15  H    0.006561  -0.000945  -0.000029  -0.000007   0.000010  -0.000000
    16  H   -0.001181   0.001955   0.000181   0.000004   0.000005   0.000000
    17  H   -0.004480   0.000130  -0.000001   0.000001  -0.000007  -0.000000
    18  O    0.088386  -0.013946  -0.000007  -0.000013   0.000044   0.000001
    19  O    7.943796   0.170295  -0.000066  -0.000141  -0.000069   0.000005
    20  H    0.170295   0.543786  -0.000365  -0.000050  -0.000272  -0.000003
    21  C   -0.000066  -0.000365   8.594154  -1.100330  -0.032592   0.021736
    22  C   -0.000141  -0.000050  -1.100330   9.922589  -1.286822   0.071543
    23  C   -0.000069  -0.000272  -0.032592  -1.286822   9.902670   0.157866
    24  O    0.000005  -0.000003   0.021736   0.071543   0.157866   8.336425
    25  C    0.000000   0.000000  -0.001196   0.083842  -0.029311   0.147719
    26  H   -0.001039  -0.000175  -0.721664   0.191392   0.118343   0.001656
    27  H    0.000002   0.000003  -0.110440  -0.538024   0.063993   0.099312
    28  H   -0.000008  -0.000004   0.129989  -1.197189  -0.907473  -0.251296
    29  H   -0.000000  -0.000000   0.004603   0.046864   0.032507  -0.223693
    30  H    0.000000  -0.000000   0.005716  -0.015032   0.013688   0.085379
    31  H    0.000000   0.000000   0.005757  -0.017529   0.016263   0.083853
              25         26         27         28         29         30
     1  C   -0.005526  -0.295352  -0.005381   0.066902  -0.001326   0.000823
     2  C   -0.003773   0.131618   0.024977  -0.280174  -0.001651   0.000780
     3  C    0.000520  -0.071751   0.006650  -0.003068   0.000020  -0.000070
     4  C   -0.000147   0.003572   0.000884  -0.010142   0.000004   0.000005
     5  C    0.000373  -0.017150   0.000480   0.030729  -0.000001   0.000084
     6  C   -0.003327  -0.021344  -0.001102  -0.010675  -0.000246   0.000324
     7  C   -0.002585  -0.894865   0.022624   0.108235  -0.000269   0.001134
     8  H    0.000009  -0.360616   0.005075   0.004434   0.000000  -0.000002
     9  H   -0.000010   0.000367  -0.000015  -0.002023   0.000000   0.000000
    10  H    0.000076   0.001670   0.000304  -0.164349  -0.000029   0.000147
    11  C   -0.000011   0.003717  -0.000131  -0.000036  -0.000000  -0.000001
    12  C    0.000000  -0.001207   0.000013  -0.000007  -0.000000   0.000000
    13  C   -0.000001   0.000543   0.000004  -0.000055   0.000000   0.000000
    14  H   -0.000000  -0.000037  -0.000000   0.000007  -0.000000  -0.000000
    15  H   -0.000000   0.000231  -0.000002  -0.000003  -0.000000  -0.000000
    16  H    0.000000  -0.001932   0.000010   0.000001  -0.000000  -0.000000
    17  H    0.000000  -0.000019   0.000000  -0.000000   0.000000   0.000000
    18  O    0.000000  -0.000062   0.000000   0.000002  -0.000000   0.000000
    19  O    0.000000  -0.001039   0.000002  -0.000008  -0.000000   0.000000
    20  H    0.000000  -0.000175   0.000003  -0.000004  -0.000000  -0.000000
    21  C   -0.001196  -0.721664  -0.110440   0.129989   0.004603   0.005716
    22  C    0.083842   0.191392  -0.538024  -1.197189   0.046864  -0.015032
    23  C   -0.029311   0.118343   0.063993  -0.907473   0.032507   0.013688
    24  O    0.147719   0.001656   0.099312  -0.251296  -0.223693   0.085379
    25  C    4.200481   0.000601  -0.017509  -0.036298   0.484564   0.228383
    26  H    0.000601   2.944059  -0.232077  -0.015678  -0.000018   0.000027
    27  H   -0.017509  -0.232077   1.477550   0.023482  -0.001969   0.001810
    28  H   -0.036298  -0.015678   0.023482   3.321942   0.050040  -0.037543
    29  H    0.484564  -0.000018  -0.001969   0.050040   1.399329  -0.179337
    30  H    0.228383   0.000027   0.001810  -0.037543  -0.179337   0.693201
    31  H    0.229533   0.000029   0.001788  -0.034454  -0.178415   0.026989
              31
     1  C    0.000749
     2  C    0.000185
     3  C    0.000004
     4  C    0.000003
     5  C    0.000139
     6  C   -0.000093
     7  C    0.000926
     8  H   -0.000001
     9  H    0.000004
    10  H   -0.000074
    11  C   -0.000001
    12  C    0.000000
    13  C   -0.000000
    14  H   -0.000000
    15  H   -0.000000
    16  H   -0.000000
    17  H    0.000000
    18  O    0.000000
    19  O    0.000000
    20  H    0.000000
    21  C    0.005757
    22  C   -0.017529
    23  C    0.016263
    24  O    0.083853
    25  C    0.229533
    26  H    0.000029
    27  H    0.001788
    28  H   -0.034454
    29  H   -0.178415
    30  H    0.026989
    31  H    0.689982
 Mulliken charges:
               1
     1  C   -0.301603
     2  C   -0.753307
     3  C   -0.212263
     4  C   -0.588361
     5  C   -0.363847
     6  C   -0.043790
     7  C    0.068031
     8  H    0.034896
     9  H    0.113428
    10  H    0.481310
    11  C   -0.101047
    12  C    0.849951
    13  C   -0.154899
    14  H    0.310010
    15  H    0.086462
    16  H    0.075329
    17  H   -0.090597
    18  O   -0.143876
    19  O   -0.177731
    20  H    0.305251
    21  C   -0.234973
    22  C   -0.179046
    23  C    0.364964
    24  O   -0.614328
    25  C    0.723593
    26  H    0.237161
    27  H    0.177690
    28  H    0.214710
    29  H   -0.430976
    30  H    0.173496
    31  H    0.174363
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.301603
     2  C   -0.753307
     3  C   -0.177366
     4  C   -0.588361
     5  C   -0.250419
     6  C    0.437519
     7  C    0.305192
    11  C    0.208963
    12  C    0.921144
    13  C   -0.154899
    18  O   -0.143876
    19  O    0.127520
    21  C   -0.057283
    22  C   -0.179046
    23  C    0.579674
    24  O   -0.614328
    25  C    0.640475
 Electronic spatial extent (au):  <R**2>=           5436.7540
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.5290    Y=              0.3239    Z=             -2.1721  Tot=              5.9492
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -116.6032   YY=            -90.2480   ZZ=           -105.4743
   XY=            -14.6897   XZ=             11.0737   YZ=              3.2944
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -12.4947   YY=             13.8605   ZZ=             -1.3658
   XY=            -14.6897   XZ=             11.0737   YZ=              3.2944
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            228.6109  YYY=              0.2234  ZZZ=              3.0354  XYY=             11.1637
  XXY=             -1.5949  XXZ=            -48.1792  XZZ=              3.8139  YZZ=             -0.2406
  YYZ=              0.9798  XYZ=             -5.2565
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6387.0769 YYYY=           -763.3464 ZZZZ=           -418.0363 XXXY=           -403.3295
 XXXZ=            209.9055 YYYX=             15.9735 YYYZ=             18.3219 ZZZX=             13.5617
 ZZZY=             -4.2960 XXYY=          -1071.5704 XXZZ=          -1110.2640 YYZZ=           -209.8830
 XXYZ=             27.5751 YYXZ=              8.8689 ZZXY=            -10.7528
 N-N= 1.136408158264D+03 E-N=-4.053868902657D+03  KE= 7.579099418761D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Tue Aug 17 19:42:53 2021, MaxMem=  5368709120 cpu:               2.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.14227647D+00 1.25065099D-01-7.66617786D-01
 Polarizability= 2.74091663D+02 6.13465605D+00 1.61835153D+02
                 1.39699954D+01 7.79260517D+00 1.11052563D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -7.6216   -7.6244        3.9640    3.9768
 2      7.6216    7.6244       -4.2242   -4.2275      -59.6079  -59.5908
 3     -3.9640   -3.9768       86.4226   86.4059        4.2247    4.2275
 4      4.2242    4.2275        0.0000    0.0000       -3.9660   -3.9768
 5    -26.8146  -26.8151        3.9660    3.9768       -7.6228   -7.6244
 6     -4.2247   -4.2275        7.6228    7.6244       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       22.8732   22.8732       11.9305   11.9305
 2     12.6826   12.6826        0.0000    0.0000       11.9305   11.9305
 3     12.6826   12.6826       22.8732   22.8732       -0.0000    0.0000
 4     22.8732   22.8732      -12.6826  -12.6826     -178.7724 -178.7724
 5    -11.9305  -11.9305      259.2177  259.2177       12.6826   12.6826
 6    -80.4453  -80.4453       11.9305   11.9305      -22.8732  -22.8732
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.5034    0.0000       30.6055   30.4976      -14.8086  -15.9074
 2    -30.4395  -30.4976       16.5100   16.9102      238.0214  238.3632
 3     16.0069   15.9074     -345.5004 -345.6236      -16.9303  -16.9102
 4    -16.7752  -16.9102        0.0768    0.0000       15.4207   15.9074
 5    107.2321  107.2604      -15.5159  -15.9074       30.8121   30.4976
 6     16.8864   16.9102      -30.6942  -30.4976       -0.3205    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0417    0.0000       36.8588   37.2583      -33.8350  -33.8343
 2    -37.4713  -37.2583      -70.2301  -69.9308      -35.2175  -35.5372
 3     32.5652   33.8343      -36.9762  -36.0059       69.2349   69.9308
 4     69.6294   69.9308       -0.1273    0.0000       34.2701   33.8343
 5     71.5726   71.5431      -32.9078  -33.8343       38.2501   37.2583
 6    -69.5418  -69.9308      -36.8603  -37.2583       -0.4849    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     39.6939   39.4160       45.0624   44.2362       49.6771   49.7192
 2    154.3364  154.8382       51.3497   51.0014       50.3157   49.7192
 3    154.2911  154.8382       44.6380   44.2362       83.5407   82.9130
 4     -7.6722   -6.7652     -116.7470 -115.4222      -52.0465  -51.6750
 5     32.4975   33.1939      -68.8407  -69.5872      115.1746  115.4222
 6    121.4950  121.2622      -32.3938  -33.1939        8.2408    6.7652
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.9494   -0.0004    0.0006    0.0009    2.6919    3.8301
 Low frequencies ---   22.5785   40.0282   43.4220
 Diagonal vibrational polarizability:
       54.2745299     157.2293134      89.6418123
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     22.5745                40.0267                43.4213
 Red. masses --      4.6231                 7.2151                 5.8994
 Frc consts  --      0.0014                 0.0068                 0.0066
 IR Inten    --      3.5998                 2.3701                 1.0576
 RamAct Fr= 1--      3.7816                 1.6912                 1.3262
  Dep-P Fr= 1--      0.7493                 0.7385                 0.7437
  Dep-U Fr= 1--      0.8567                 0.8496                 0.8530
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0001
 Beta2  Fr= 1--      0.5400                 0.2395                 0.1886
 AlphaG Fr= 1--     -0.0003                -0.0039                 0.0052
 Gamma2 Fr= 1--     -2.4886                 2.2036                -1.7105
 Delta2 Fr= 1--     -1.7188                 1.4618                -0.5751
 Raman1 Fr= 1--      15.126                  6.765                  5.305
 ROA1   Fr= 1--    -293.909                258.323               -182.611
 CID1   Fr= 1--     -19.430                 38.187                -34.423
 Raman2 Fr= 1--       6.479                  2.873                  2.263
 ROA2   Fr= 1--     -45.977                 41.191                -36.452
 CID2   Fr= 1--      -7.096                 14.335                -16.111
 Raman3 Fr= 1--      12.959                  5.747                  4.525
 ROA3   Fr= 1--    -293.909                258.323               -182.611
 CID3   Fr= 1--     -22.680                 44.949                -40.354
 RC180  Fr= 1--       0.713                  0.699                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.06    -0.02   0.01  -0.08     0.01  -0.03   0.12
     2   6     0.01  -0.02  -0.05    -0.02   0.01  -0.11     0.01  -0.02   0.08
     3   6    -0.03  -0.07   0.06    -0.02   0.02  -0.08     0.01  -0.03   0.11
     4   6    -0.00  -0.07  -0.02    -0.02   0.02  -0.10     0.01  -0.02   0.07
     5   6     0.03  -0.04  -0.12    -0.02   0.03  -0.17     0.01  -0.02   0.07
     6   6     0.04  -0.02  -0.13    -0.02   0.03  -0.18     0.01  -0.02   0.08
     7   6    -0.05  -0.05   0.15    -0.02  -0.01  -0.01     0.01  -0.03   0.13
     8   1    -0.05  -0.09   0.14    -0.02   0.01  -0.05     0.01  -0.02   0.10
     9   1     0.06  -0.04  -0.19    -0.02   0.04  -0.20     0.01  -0.02   0.06
    10   1     0.07   0.01  -0.21    -0.02   0.04  -0.22     0.01  -0.02   0.06
    11   6    -0.00  -0.09  -0.00    -0.03   0.00  -0.00     0.02  -0.01  -0.02
    12   6    -0.01  -0.15  -0.20    -0.08   0.00   0.06     0.06  -0.00  -0.05
    13   6     0.01   0.09   0.06     0.11  -0.02   0.06    -0.05   0.01  -0.06
    14   1    -0.02  -0.19   0.10    -0.08   0.00   0.02     0.06  -0.01  -0.03
    15   1    -0.02  -0.29  -0.25    -0.15   0.02   0.03     0.13  -0.01  -0.02
    16   1     0.01  -0.04  -0.32    -0.03  -0.01   0.05     0.01  -0.00  -0.04
    17   1    -0.01  -0.16  -0.18    -0.09  -0.01   0.13     0.07   0.01  -0.13
    18   8    -0.03   0.23   0.13     0.19  -0.29   0.15     0.01  -0.21  -0.13
    19   8     0.07   0.08   0.02     0.11   0.32   0.02    -0.20   0.31   0.00
    20   1     0.09  -0.02  -0.03     0.06   0.45  -0.05    -0.21   0.40   0.06
    21   6    -0.05  -0.02   0.14    -0.03  -0.02   0.05     0.01  -0.02   0.07
    22   6    -0.01   0.01   0.03    -0.04  -0.02   0.04     0.02  -0.01  -0.00
    23   6     0.02   0.01  -0.06    -0.03  -0.00  -0.06     0.02  -0.01   0.02
    24   8    -0.01   0.03   0.03    -0.05  -0.05   0.13     0.03   0.01  -0.10
    25   6     0.02   0.06  -0.08    -0.06  -0.06   0.17     0.05   0.03  -0.26
    26   1    -0.08  -0.07   0.23    -0.02  -0.01   0.01     0.00  -0.04   0.17
    27   1    -0.07  -0.02   0.21    -0.03  -0.04   0.11     0.01  -0.02   0.07
    28   1     0.04   0.03  -0.14    -0.03  -0.00  -0.08     0.02  -0.00  -0.03
    29   1     0.02   0.08  -0.07    -0.07  -0.08   0.27     0.06   0.05  -0.35
    30   1     0.04   0.15  -0.12     0.02  -0.05   0.15    -0.04   0.11  -0.28
    31   1     0.05  -0.01  -0.15    -0.14  -0.06   0.13     0.15  -0.04  -0.28
                      4                      5                      6
                      A                      A                      A
 Frequencies --     93.6375               129.7645               139.6709
 Red. masses --      3.9517                 4.2292                 4.4268
 Frc consts  --      0.0204                 0.0420                 0.0509
 IR Inten    --      3.4199                 0.3147                 0.0590
 RamAct Fr= 1--      1.7353                 0.1838                 0.3694
  Dep-P Fr= 1--      0.7132                 0.5786                 0.3333
  Dep-U Fr= 1--      0.8326                 0.7331                 0.5000
 Alpha2 Fr= 1--      0.0011                 0.0006                 0.0034
 Beta2  Fr= 1--      0.2408                 0.0225                 0.0308
 AlphaG Fr= 1--     -0.0040                -0.0060                -0.0148
 Gamma2 Fr= 1--     -0.0934                 0.7318                -1.0784
 Delta2 Fr= 1--     -0.3566                 0.4645                -0.4063
 Raman1 Fr= 1--       6.941                  0.735                  1.478
 ROA1   Fr= 1--     -20.376                 85.114               -116.531
 CID1   Fr= 1--      -2.936                115.746                -78.865
 Raman2 Fr= 1--       2.890                  0.270                  0.369
 ROA2   Fr= 1--       0.612                 13.847                -22.632
 CID2   Fr= 1--       0.212                 51.374                -61.272
 Raman3 Fr= 1--       5.779                  0.539                  0.739
 ROA3   Fr= 1--     -20.376                 85.114               -116.531
 CID3   Fr= 1--      -3.526                157.895               -157.740
 RC180  Fr= 1--       0.665                  0.466                 -0.000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.03     0.01  -0.07  -0.12     0.05   0.10  -0.09
     2   6     0.04   0.01  -0.09     0.03  -0.06  -0.10     0.04   0.10  -0.10
     3   6     0.00  -0.04   0.13     0.01  -0.08  -0.08     0.02   0.09  -0.01
     4   6     0.01  -0.03   0.09    -0.01  -0.09   0.00     0.02   0.06   0.09
     5   6     0.03  -0.01  -0.03     0.00  -0.09   0.00     0.03   0.06   0.07
     6   6     0.04   0.01  -0.12     0.02  -0.07  -0.07     0.04   0.09  -0.04
     7   6     0.01  -0.01   0.02    -0.03  -0.04  -0.12     0.09   0.07  -0.09
     8   1    -0.01  -0.05   0.21     0.03  -0.08  -0.10     0.01   0.08  -0.01
     9   1     0.04  -0.00  -0.07     0.00  -0.10   0.05     0.02   0.05   0.14
    10   1     0.05   0.03  -0.22     0.01  -0.07  -0.07     0.04   0.09  -0.06
    11   6     0.01  -0.02   0.06    -0.00   0.00   0.04     0.00  -0.05   0.07
    12   6     0.05  -0.02   0.03     0.12   0.09   0.18    -0.10  -0.14  -0.10
    13   6    -0.08   0.01   0.02    -0.05   0.03   0.02    -0.06  -0.03   0.05
    14   1     0.03  -0.02   0.05    -0.07   0.09  -0.01     0.09  -0.14   0.11
    15   1     0.11  -0.03   0.05     0.18   0.18   0.24    -0.14  -0.24  -0.15
    16   1     0.02  -0.02   0.04     0.13  -0.02   0.29    -0.14  -0.02  -0.20
    17   1     0.06  -0.00  -0.03     0.12   0.19   0.13    -0.10  -0.24  -0.08
    18   8    -0.08   0.01  -0.05    -0.07   0.07  -0.01    -0.06  -0.04  -0.02
    19   8    -0.16   0.04   0.07    -0.09   0.06   0.04    -0.13  -0.04   0.09
    20   1    -0.14   0.02   0.12    -0.08   0.01   0.07    -0.12  -0.02   0.14
    21   6     0.02   0.01  -0.07    -0.04  -0.02  -0.01     0.08   0.02  -0.00
    22   6     0.04   0.02  -0.13    -0.01  -0.01   0.05     0.05  -0.00   0.03
    23   6     0.05   0.03  -0.16     0.04  -0.03  -0.04     0.02   0.05  -0.08
    24   8     0.04   0.03  -0.12    -0.03   0.05   0.21     0.02  -0.11   0.20
    25   6     0.01  -0.03   0.26     0.11   0.15  -0.05    -0.03  -0.11  -0.09
    26   1    -0.00  -0.03   0.09    -0.06  -0.05  -0.16     0.13   0.09  -0.11
    27   1     0.02   0.01  -0.06    -0.07  -0.01   0.02     0.09  -0.00   0.04
    28   1     0.06   0.04  -0.22     0.08  -0.02  -0.01    -0.02   0.04  -0.08
    29   1    -0.01  -0.04   0.40     0.08   0.23   0.04    -0.03  -0.21   0.03
    30   1     0.17  -0.24   0.32     0.19   0.36  -0.15     0.01   0.18  -0.21
    31   1    -0.16   0.16   0.35     0.16  -0.06  -0.23    -0.11  -0.29  -0.31
                      7                      8                      9
                      A                      A                      A
 Frequencies --    185.7135               200.8183               221.2886
 Red. masses --      3.3060                 3.1800                 2.1956
 Frc consts  --      0.0672                 0.0756                 0.0633
 IR Inten    --      1.2762                 1.1281                 3.0200
 RamAct Fr= 1--      0.4087                 5.8816                 1.2087
  Dep-P Fr= 1--      0.2246                 0.3161                 0.7302
  Dep-U Fr= 1--      0.3668                 0.4804                 0.8441
 Alpha2 Fr= 1--      0.0052                 0.0575                 0.0004
 Beta2  Fr= 1--      0.0250                 0.4709                 0.1700
 AlphaG Fr= 1--     -0.0090                 0.0312                -0.0063
 Gamma2 Fr= 1--      1.1802                -0.9215                -0.0510
 Delta2 Fr= 1--      0.1044                -0.5113                 0.2411
 Raman1 Fr= 1--       1.635                 23.527                  4.835
 ROA1   Fr= 1--     116.637               -104.828                  2.819
 CID1   Fr= 1--      71.355                 -4.456                  0.583
 Raman2 Fr= 1--       0.300                  5.651                  2.041
 ROA2   Fr= 1--      27.488                -18.027                 -3.153
 CID2   Fr= 1--      91.693                 -3.190                 -1.545
 Raman3 Fr= 1--       0.600                 11.301                  4.081
 ROA3   Fr= 1--     116.637               -104.828                  2.819
 CID3   Fr= 1--     194.533                 -9.276                  0.691
 RC180  Fr= 1--      -0.266                 -0.039                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.08     0.02  -0.02  -0.03    -0.02  -0.03   0.08
     2   6     0.00   0.02  -0.10     0.00  -0.04  -0.01    -0.03  -0.03   0.02
     3   6     0.01   0.02  -0.12     0.02   0.05  -0.06    -0.02  -0.00   0.13
     4   6    -0.00  -0.01   0.01    -0.04   0.08  -0.02    -0.02   0.03   0.05
     5   6    -0.03  -0.05   0.22    -0.06   0.07   0.01    -0.05   0.02   0.02
     6   6    -0.02  -0.03   0.11    -0.06   0.01   0.01    -0.05  -0.01   0.03
     7   6    -0.03  -0.01   0.10     0.05  -0.06   0.03    -0.01  -0.01  -0.02
     8   1     0.02   0.03  -0.21     0.08   0.08  -0.07    -0.00  -0.00   0.18
     9   1    -0.06  -0.09   0.44    -0.08   0.08   0.04    -0.07   0.04  -0.00
    10   1    -0.03  -0.04   0.23    -0.13  -0.02   0.03    -0.08  -0.01   0.00
    11   6     0.01   0.01  -0.02    -0.06   0.05   0.00    -0.01   0.06  -0.01
    12   6     0.04   0.02  -0.01    -0.20  -0.01  -0.03     0.05   0.05  -0.11
    13   6     0.02   0.00  -0.02    -0.04   0.01   0.01     0.02   0.02  -0.00
    14   1     0.00   0.02  -0.03    -0.03   0.01   0.02     0.01   0.04   0.00
    15   1     0.07   0.03   0.00    -0.38  -0.07  -0.14     0.07  -0.06  -0.13
    16   1     0.02   0.01   0.00    -0.10   0.07  -0.14     0.08   0.10  -0.17
    17   1     0.04   0.04  -0.05    -0.22  -0.09   0.16     0.05   0.09  -0.12
    18   8     0.03  -0.00  -0.00    -0.03  -0.02   0.01     0.05  -0.06   0.01
    19   8     0.05  -0.01  -0.03    -0.03  -0.01   0.01     0.06  -0.04  -0.02
    20   1     0.04   0.00  -0.05    -0.04   0.02   0.01     0.04   0.01  -0.03
    21   6    -0.04  -0.02   0.18     0.03  -0.09   0.05    -0.00  -0.01  -0.11
    22   6    -0.01   0.02  -0.05     0.04  -0.08  -0.00    -0.02  -0.02  -0.05
    23   6     0.01   0.04  -0.21     0.02  -0.08  -0.01    -0.02  -0.02  -0.06
    24   8    -0.01   0.01  -0.04     0.05   0.02  -0.04    -0.03  -0.00   0.07
    25   6    -0.04  -0.01   0.03     0.25   0.11   0.06     0.05   0.05   0.00
    26   1    -0.05  -0.04   0.23     0.07  -0.05   0.06    -0.00  -0.01  -0.04
    27   1    -0.06  -0.06   0.38     0.04  -0.11   0.10     0.02  -0.00  -0.19
    28   1     0.03   0.07  -0.32     0.02  -0.08  -0.02    -0.01  -0.02  -0.09
    29   1    -0.06  -0.07   0.25     0.22   0.31   0.02    -0.02   0.04   0.47
    30   1     0.15   0.03  -0.02     0.29  -0.01   0.10     0.45   0.30  -0.16
    31   1    -0.22  -0.02  -0.07     0.39   0.12   0.14    -0.21  -0.15  -0.32
                     10                     11                     12
                      A                      A                      A
 Frequencies --    243.4690               259.8337               283.3964
 Red. masses --      1.8273                 1.1420                 2.3750
 Frc consts  --      0.0638                 0.0454                 0.1124
 IR Inten    --      1.8810                 1.2080                 2.1068
 RamAct Fr= 1--      0.8823                 0.3557                 0.9715
  Dep-P Fr= 1--      0.5333                 0.6425                 0.6731
  Dep-U Fr= 1--      0.6956                 0.7824                 0.8046
 Alpha2 Fr= 1--      0.0037                 0.0007                 0.0013
 Beta2  Fr= 1--      0.1023                 0.0464                 0.1303
 AlphaG Fr= 1--     -0.0180                -0.0077                 0.0025
 Gamma2 Fr= 1--      0.7813                -0.2245                 1.0626
 Delta2 Fr= 1--     -0.1225                 0.0344                 0.3257
 Raman1 Fr= 1--       3.529                  1.423                  3.886
 ROA1   Fr= 1--      71.086                -20.447                112.427
 CID1   Fr= 1--      20.142                -14.369                 28.932
 Raman2 Fr= 1--       1.227                  0.557                  1.563
 ROA2   Fr= 1--      19.731                 -5.662                 22.896
 CID2   Fr= 1--      16.075                -10.172                 14.645
 Raman3 Fr= 1--       2.455                  1.113                  3.127
 ROA3   Fr= 1--      71.086                -20.447                112.427
 CID3   Fr= 1--      28.956                -18.366                 35.957
 RC180  Fr= 1--       0.391                  0.565                  0.609
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.04     0.01  -0.01  -0.00    -0.01  -0.02   0.07
     2   6    -0.01  -0.00  -0.05     0.01  -0.01   0.02     0.01   0.00  -0.04
     3   6     0.01   0.01   0.00     0.01  -0.01  -0.03    -0.01  -0.03   0.13
     4   6    -0.01   0.01   0.04     0.01  -0.01  -0.03    -0.00  -0.01   0.03
     5   6    -0.03   0.01   0.02     0.02  -0.01  -0.02    -0.00  -0.02   0.07
     6   6    -0.03   0.00  -0.04     0.01  -0.01   0.01     0.00  -0.01   0.04
     7   6    -0.01  -0.00  -0.02    -0.01  -0.00   0.01    -0.00  -0.00   0.01
     8   1     0.02   0.02   0.01     0.02  -0.01  -0.04    -0.02  -0.04   0.17
     9   1    -0.05   0.02   0.05     0.02  -0.01  -0.03    -0.00  -0.03   0.10
    10   1    -0.04   0.00  -0.06     0.02  -0.01   0.02     0.00  -0.02   0.05
    11   6     0.01   0.05   0.04     0.01   0.01   0.01     0.00  -0.01  -0.05
    12   6     0.13   0.05  -0.12     0.01   0.01   0.02    -0.08  -0.01   0.06
    13   6     0.00   0.02   0.04    -0.00   0.00   0.01     0.02  -0.00  -0.06
    14   1    -0.01   0.03   0.07    -0.03   0.02   0.02     0.02   0.01  -0.08
    15   1     0.10  -0.18  -0.20    -0.40  -0.21  -0.26    -0.37  -0.01  -0.08
    16   1     0.30   0.15  -0.27     0.48   0.10  -0.22     0.14  -0.01  -0.01
    17   1     0.12   0.17  -0.04    -0.06   0.14   0.54    -0.12  -0.01   0.39
    18   8     0.03  -0.07   0.01    -0.00   0.00  -0.02     0.01   0.04  -0.03
    19   8    -0.01  -0.06   0.06    -0.03  -0.00   0.02     0.06   0.05  -0.10
    20   1    -0.02   0.01   0.09    -0.03   0.00   0.05     0.06   0.00  -0.15
    21   6    -0.02  -0.01   0.02    -0.01   0.01   0.01     0.01   0.02  -0.08
    22   6    -0.03  -0.01   0.01     0.00   0.02   0.01     0.01   0.02  -0.05
    23   6    -0.02  -0.01  -0.02     0.01   0.01   0.03     0.02   0.03  -0.13
    24   8    -0.03   0.01   0.02     0.00   0.01  -0.03    -0.01  -0.02   0.12
    25   6    -0.00   0.02   0.01    -0.04  -0.01  -0.01    -0.01  -0.01   0.01
    26   1    -0.02  -0.01  -0.01    -0.02  -0.01   0.00    -0.01  -0.01   0.02
    27   1    -0.02  -0.02   0.05    -0.01   0.02   0.01     0.01   0.03  -0.11
    28   1    -0.02  -0.02   0.01     0.02   0.01   0.02     0.03   0.03  -0.13
    29   1     0.05   0.13  -0.43    -0.05  -0.08   0.17     0.04   0.05  -0.41
    30   1    -0.35  -0.18   0.15     0.09   0.06  -0.06    -0.36  -0.11   0.10
    31   1     0.32   0.14   0.29    -0.19  -0.04  -0.11     0.28   0.05   0.21
                     13                     14                     15
                      A                      A                      A
 Frequencies --    327.1611               356.2157               390.3588
 Red. masses --      4.9297                 4.3577                 5.2102
 Frc consts  --      0.3109                 0.3258                 0.4678
 IR Inten    --      7.2956                 6.8560                 3.0661
 RamAct Fr= 1--      8.9817                 2.2990                 1.9109
  Dep-P Fr= 1--      0.2632                 0.0886                 0.1708
  Dep-U Fr= 1--      0.4167                 0.1628                 0.2917
 Alpha2 Fr= 1--      0.1026                 0.0414                 0.0280
 Beta2  Fr= 1--      0.6238                 0.0624                 0.0929
 AlphaG Fr= 1--     -0.0441                 0.0622                 0.0691
 Gamma2 Fr= 1--     -2.1107                 0.7429                 0.6250
 Delta2 Fr= 1--     -0.2534                 0.0980                 0.2463
 Raman1 Fr= 1--      35.927                  9.196                  7.643
 ROA1   Fr= 1--    -210.733                 74.451                 67.885
 CID1   Fr= 1--      -5.866                  8.096                  8.881
 Raman2 Fr= 1--       7.485                  0.749                  1.115
 ROA2   Fr= 1--     -48.629                 17.045                 13.031
 CID2   Fr= 1--      -6.496                 22.771                 11.688
 Raman3 Fr= 1--      14.971                  1.497                  2.230
 ROA3   Fr= 1--    -210.733                 74.451                 67.885
 CID3   Fr= 1--     -14.076                 49.731                 30.445
 RC180  Fr= 1--      -0.167                 -0.674                 -0.417
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.08   0.01     0.08  -0.15  -0.00     0.06  -0.02  -0.10
     2   6     0.00   0.10   0.02     0.12  -0.12  -0.00     0.03  -0.04  -0.10
     3   6    -0.08  -0.01  -0.02     0.07  -0.08  -0.00     0.05   0.03   0.13
     4   6    -0.09  -0.06  -0.01    -0.03   0.01  -0.02     0.01   0.03   0.26
     5   6     0.01  -0.02  -0.00     0.00  -0.00  -0.01    -0.03   0.03   0.17
     6   6     0.03   0.08   0.01     0.02  -0.07   0.00    -0.00   0.01  -0.21
     7   6     0.04   0.05   0.01     0.00  -0.09  -0.01     0.03  -0.00  -0.13
     8   1    -0.12  -0.03  -0.03     0.16  -0.04   0.02     0.11   0.05   0.13
     9   1     0.09  -0.08   0.00     0.01  -0.01  -0.01    -0.08   0.07   0.22
    10   1     0.08   0.10   0.01    -0.08  -0.11  -0.00    -0.04   0.02  -0.40
    11   6    -0.15  -0.07  -0.07    -0.09   0.14  -0.01     0.02  -0.02   0.02
    12   6     0.14   0.05  -0.01    -0.14   0.14  -0.10    -0.01  -0.04   0.03
    13   6    -0.17  -0.06  -0.03    -0.09   0.05   0.02    -0.03  -0.02  -0.07
    14   1    -0.15   0.01  -0.14    -0.10   0.14  -0.01     0.19  -0.01  -0.06
    15   1     0.16  -0.07  -0.05    -0.04   0.14  -0.05    -0.11  -0.05  -0.02
    16   1     0.43  -0.03  -0.03    -0.30   0.19  -0.10     0.05  -0.03  -0.00
    17   1     0.13   0.38   0.08    -0.12   0.04  -0.25    -0.02  -0.06   0.14
    18   8    -0.17  -0.08   0.23    -0.05  -0.07   0.11    -0.04  -0.00   0.01
    19   8     0.02   0.01  -0.17    -0.02  -0.04  -0.02     0.09   0.05  -0.17
    20   1    -0.01  -0.00  -0.35    -0.05   0.05  -0.05     0.08  -0.00  -0.31
    21   6     0.06   0.01   0.01     0.02   0.07   0.00    -0.02  -0.04   0.11
    22   6     0.08   0.00   0.01     0.09   0.10   0.02    -0.05  -0.04   0.15
    23   6     0.01   0.06   0.02     0.16   0.03   0.01    -0.01  -0.08   0.15
    24   8     0.10  -0.06  -0.00     0.10   0.10   0.04    -0.03   0.07  -0.12
    25   6     0.13  -0.07   0.00    -0.15  -0.02  -0.02    -0.08   0.05  -0.01
    26   1     0.11   0.07   0.03    -0.10  -0.13  -0.02     0.01   0.00  -0.24
    27   1     0.04   0.02   0.01    -0.06   0.14  -0.00     0.00  -0.06   0.12
    28   1    -0.04   0.04   0.01     0.24   0.06   0.02     0.01  -0.07   0.17
    29   1     0.12  -0.04   0.02    -0.10  -0.27  -0.08    -0.09  -0.01   0.14
    30   1     0.15  -0.07   0.00    -0.31   0.04  -0.02     0.03   0.05  -0.03
    31   1     0.14  -0.08   0.00    -0.28   0.04  -0.02    -0.22   0.08  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.0827               432.8226               486.7677
 Red. masses --      3.2995                 4.8306                 2.5623
 Frc consts  --      0.3317                 0.5332                 0.3577
 IR Inten    --      0.1190                 2.2460                14.5409
 RamAct Fr= 1--      2.8462                 1.9497                 0.0932
  Dep-P Fr= 1--      0.7478                 0.1649                 0.5729
  Dep-U Fr= 1--      0.8557                 0.2832                 0.7285
 Alpha2 Fr= 1--      0.0001                 0.0290                 0.0003
 Beta2  Fr= 1--      0.4059                 0.0920                 0.0113
 AlphaG Fr= 1--      0.0031                 0.0618                 0.0006
 Gamma2 Fr= 1--     -0.7232                 0.3105                -0.0511
 Delta2 Fr= 1--      0.1310                -0.1371                -0.0626
 Raman1 Fr= 1--      11.385                  7.799                  0.373
 ROA1   Fr= 1--     -65.232                 25.419                 -6.911
 CID1   Fr= 1--      -5.730                  3.259                -18.546
 Raman2 Fr= 1--       4.871                  1.104                  0.136
 ROA2   Fr= 1--     -18.404                  8.548                 -0.726
 CID2   Fr= 1--      -3.778                  7.741                 -5.350
 Raman3 Fr= 1--       9.743                  2.209                  0.271
 ROA3   Fr= 1--     -65.232                 25.419                 -6.911
 CID3   Fr= 1--      -6.696                 11.509                -25.458
 RC180  Fr= 1--       0.711                 -0.434                  0.457
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.08     0.09  -0.03   0.02    -0.02  -0.03   0.21
     2   6     0.00   0.00  -0.04     0.02  -0.08   0.05    -0.02  -0.03   0.19
     3   6     0.02   0.03  -0.16     0.12   0.13  -0.05     0.02   0.02  -0.11
     4   6     0.00   0.00   0.03     0.07   0.16  -0.05     0.00  -0.01   0.03
     5   6    -0.02  -0.02   0.14     0.02   0.17  -0.09     0.01  -0.01   0.05
     6   6     0.02   0.03  -0.18    -0.04  -0.01   0.10     0.02   0.02  -0.09
     7   6    -0.03  -0.04   0.23     0.06  -0.03   0.06     0.02   0.02  -0.10
     8   1     0.06   0.07  -0.39     0.24   0.17  -0.02     0.05   0.07  -0.44
     9   1    -0.04  -0.04   0.29    -0.06   0.25  -0.16     0.02  -0.00  -0.04
    10   1     0.04   0.06  -0.35    -0.16  -0.07   0.16     0.07   0.08  -0.40
    11   6     0.00  -0.00   0.00     0.03  -0.11  -0.02     0.00   0.01  -0.00
    12   6     0.00  -0.01   0.00     0.12  -0.12   0.04    -0.00   0.01  -0.00
    13   6    -0.00   0.00  -0.00    -0.06  -0.10  -0.01    -0.00   0.00   0.00
    14   1     0.01  -0.00   0.00     0.15  -0.12  -0.07    -0.00   0.01  -0.00
    15   1    -0.00  -0.00   0.00     0.17  -0.12   0.07    -0.02   0.02  -0.00
    16   1    -0.00  -0.00   0.00     0.23  -0.20   0.09    -0.02   0.01   0.00
    17   1     0.00  -0.01   0.00     0.12   0.04   0.04    -0.00  -0.01   0.00
    18   8    -0.00   0.00  -0.00    -0.10  -0.00   0.11    -0.00  -0.00   0.01
    19   8     0.00  -0.00  -0.00    -0.04   0.03  -0.05    -0.00  -0.01  -0.00
    20   1    -0.01   0.04  -0.01    -0.02  -0.09  -0.11    -0.03   0.09   0.01
    21   6     0.02   0.03  -0.19     0.03  -0.06  -0.04    -0.01  -0.02   0.05
    22   6     0.01   0.01  -0.08    -0.05  -0.05  -0.09    -0.02  -0.02   0.07
    23   6    -0.01  -0.03   0.11     0.03  -0.12  -0.09     0.01   0.01  -0.13
    24   8    -0.01  -0.01   0.05    -0.10   0.09   0.05    -0.01   0.00  -0.01
    25   6    -0.01   0.00   0.00    -0.15   0.11   0.01    -0.01   0.01   0.00
    26   1    -0.05  -0.08   0.44     0.05  -0.05   0.12     0.06   0.09  -0.44
    27   1     0.04   0.05  -0.31     0.11  -0.14  -0.01     0.03   0.00  -0.12
    28   1    -0.04  -0.06   0.33     0.03  -0.11  -0.09     0.05   0.08  -0.49
    29   1    -0.01   0.00   0.01    -0.13   0.04  -0.06    -0.00   0.02  -0.04
    30   1    -0.01   0.05  -0.02    -0.24   0.14   0.01    -0.02  -0.03   0.02
    31   1     0.00  -0.03  -0.03    -0.15   0.12   0.01     0.02   0.03   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    492.7943               527.4974               536.9044
 Red. masses --      4.5387                 4.5959                 5.9579
 Frc consts  --      0.6494                 0.7535                 1.0119
 IR Inten    --      6.9562                 9.0823                 0.1917
 RamAct Fr= 1--      1.1874                 5.7999                10.5287
  Dep-P Fr= 1--      0.5864                 0.1753                 0.4423
  Dep-U Fr= 1--      0.7393                 0.2983                 0.6134
 Alpha2 Fr= 1--      0.0036                 0.0840                 0.0665
 Beta2  Fr= 1--      0.1463                 0.2884                 1.0763
 AlphaG Fr= 1--     -0.0106                -0.0383                 0.0707
 Gamma2 Fr= 1--     -0.5658                -0.0901                -0.3630
 Delta2 Fr= 1--     -0.0286                 0.5360                -0.2613
 Raman1 Fr= 1--       4.750                 23.200                 42.115
 ROA1   Fr= 1--     -55.235                  8.503                -43.212
 CID1   Fr= 1--     -11.630                  0.367                 -1.026
 Raman2 Fr= 1--       1.756                  3.460                 12.916
 ROA2   Fr= 1--     -13.351                 -6.450                 -6.622
 CID2   Fr= 1--      -7.605                 -1.864                 -0.513
 Raman3 Fr= 1--       3.511                  6.921                 25.832
 ROA3   Fr= 1--     -55.235                  8.503                -43.212
 CID3   Fr= 1--     -15.731                  1.229                 -1.673
 RC180  Fr= 1--       0.479                 -0.403                  0.227
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.11  -0.00     0.11  -0.05  -0.01     0.12   0.09   0.04
     2   6    -0.04  -0.09   0.01    -0.03  -0.11   0.02    -0.13  -0.01  -0.02
     3   6    -0.05   0.07  -0.02     0.15   0.00  -0.02     0.06  -0.12  -0.01
     4   6    -0.08   0.11   0.01     0.10   0.03   0.05    -0.03  -0.11  -0.03
     5   6    -0.16   0.12   0.00    -0.00  -0.01  -0.05    -0.25  -0.19  -0.06
     6   6    -0.17  -0.03  -0.04    -0.03  -0.14  -0.00    -0.23  -0.06  -0.04
     7   6    -0.07  -0.11  -0.04    -0.02   0.07   0.02     0.28   0.10   0.05
     8   1     0.07   0.12  -0.03     0.19   0.02  -0.04    -0.07  -0.16  -0.03
     9   1    -0.25   0.19  -0.01    -0.09   0.08  -0.13    -0.29  -0.17  -0.05
    10   1    -0.33  -0.09  -0.10    -0.05  -0.14  -0.03    -0.15  -0.03  -0.03
    11   6    -0.02  -0.10   0.01     0.07   0.04   0.03    -0.02  -0.02   0.01
    12   6     0.10  -0.13   0.05    -0.01   0.00  -0.00     0.00  -0.03   0.01
    13   6     0.05  -0.04   0.00    -0.05  -0.02  -0.01     0.01   0.00   0.01
    14   1     0.02  -0.15   0.04     0.16   0.05  -0.03    -0.07  -0.01   0.03
    15   1     0.18  -0.16   0.08    -0.06   0.01  -0.03     0.02  -0.04   0.01
    16   1     0.21  -0.20   0.09    -0.08   0.05  -0.03     0.00  -0.03   0.00
    17   1     0.10   0.04   0.03    -0.01  -0.11   0.01     0.00  -0.02  -0.01
    18   8     0.03   0.04  -0.08    -0.05  -0.02   0.07     0.01   0.00  -0.03
    19   8     0.03   0.03   0.01    -0.02   0.00  -0.05     0.01   0.00   0.00
    20   1     0.06  -0.06   0.01    -0.02  -0.04  -0.09     0.01   0.02  -0.01
    21   6    -0.02   0.09   0.02     0.00   0.24   0.04     0.28   0.08   0.05
    22   6     0.12   0.12   0.04    -0.12   0.15  -0.03     0.02   0.01   0.01
    23   6     0.04   0.13   0.01    -0.05   0.11   0.00    -0.09   0.04  -0.00
    24   8     0.18   0.01   0.03    -0.16  -0.18  -0.04     0.02   0.09   0.02
    25   6     0.07  -0.09  -0.01     0.12  -0.07   0.00    -0.07   0.09   0.01
    26   1    -0.15  -0.14  -0.09    -0.23  -0.02   0.03     0.33   0.13   0.05
    27   1    -0.20   0.24   0.00    -0.02   0.25   0.09     0.41  -0.03   0.04
    28   1     0.13   0.16  -0.02     0.16   0.19   0.06    -0.08   0.05  -0.01
    29   1     0.09  -0.21  -0.03     0.06   0.28   0.05    -0.05  -0.02  -0.01
    30   1    -0.00  -0.06  -0.01     0.32  -0.16   0.01    -0.13   0.11   0.01
    31   1     0.01  -0.06  -0.01     0.33  -0.17   0.02    -0.13   0.11   0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --    572.7080               598.4326               625.4411
 Red. masses --      3.2783                 1.1686                 3.8487
 Frc consts  --      0.6335                 0.2466                 0.8870
 IR Inten    --      2.9584                45.7050                 4.1531
 RamAct Fr= 1--      1.5730                 0.8867                 1.4024
  Dep-P Fr= 1--      0.4349                 0.6357                 0.7466
  Dep-U Fr= 1--      0.6061                 0.7773                 0.8549
 Alpha2 Fr= 1--      0.0102                 0.0018                 0.0001
 Beta2  Fr= 1--      0.1589                 0.1149                 0.1998
 AlphaG Fr= 1--     -0.0470                -0.0814                -0.0008
 Gamma2 Fr= 1--      0.5215                -0.7674                 1.2851
 Delta2 Fr= 1--     -0.3174                 0.3291                 0.6525
 Raman1 Fr= 1--       6.292                  3.547                  5.610
 ROA1   Fr= 1--      39.905                -63.140                144.252
 CID1   Fr= 1--       6.342                -17.802                 25.715
 Raman2 Fr= 1--       1.907                  1.378                  2.398
 ROA2   Fr= 1--      15.055                -21.050                 25.623
 CID2   Fr= 1--       7.895                -15.271                 10.686
 Raman3 Fr= 1--       3.814                  2.757                  4.796
 ROA3   Fr= 1--      39.905                -63.140                144.252
 CID3   Fr= 1--      10.463                -22.902                 30.078
 RC180  Fr= 1--       0.212                  0.555                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.09     0.01  -0.01   0.01    -0.06   0.02  -0.05
     2   6    -0.02  -0.00   0.15     0.01   0.00  -0.04    -0.11  -0.01   0.06
     3   6    -0.01  -0.00  -0.07     0.00   0.00   0.02    -0.05   0.08   0.04
     4   6    -0.03  -0.06   0.19     0.01   0.01  -0.04     0.08  -0.00   0.08
     5   6     0.01  -0.01  -0.10     0.00   0.01   0.00     0.01  -0.05   0.02
     6   6     0.00   0.00   0.06    -0.00  -0.00   0.00    -0.01  -0.09  -0.04
     7   6    -0.01  -0.01  -0.00    -0.00  -0.00   0.01     0.01  -0.05  -0.07
     8   1    -0.03   0.01  -0.23     0.02   0.01   0.02    -0.09   0.07  -0.09
     9   1     0.07   0.04  -0.44    -0.01  -0.00   0.08    -0.06   0.05  -0.16
    10   1     0.06   0.06  -0.16    -0.02  -0.02   0.09     0.07  -0.03  -0.25
    11   6    -0.01   0.03   0.16     0.00  -0.02  -0.01     0.13   0.02  -0.16
    12   6    -0.00  -0.02   0.02     0.01  -0.03   0.01    -0.00   0.04  -0.03
    13   6    -0.05   0.06   0.03    -0.01   0.02   0.00     0.07  -0.04  -0.11
    14   1     0.02   0.02   0.16    -0.01  -0.04   0.02     0.23   0.06  -0.25
    15   1     0.01  -0.14  -0.00     0.01   0.01   0.03    -0.18   0.24  -0.05
    16   1    -0.07   0.10  -0.07     0.02  -0.05   0.04    -0.04  -0.02   0.04
    17   1     0.00  -0.09  -0.02     0.01  -0.01   0.02    -0.02  -0.11   0.12
    18   8    -0.03  -0.02  -0.10    -0.01   0.02   0.01     0.06   0.04   0.18
    19   8     0.11  -0.01  -0.07     0.01  -0.07  -0.01    -0.14  -0.04   0.00
    20   1    -0.03   0.40  -0.24    -0.24   0.95   0.04    -0.14   0.20   0.32
    21   6    -0.02  -0.04   0.02     0.00   0.01  -0.01     0.00  -0.05   0.04
    22   6     0.04   0.02  -0.18    -0.01  -0.00   0.04     0.06   0.02  -0.14
    23   6     0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.08   0.05   0.02
    24   8     0.02   0.01   0.06    -0.01  -0.00  -0.01     0.07   0.04   0.05
    25   6    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    26   1    -0.01  -0.04   0.25    -0.00   0.00  -0.04     0.03  -0.07   0.12
    27   1    -0.06  -0.09   0.35     0.01   0.02  -0.08    -0.08  -0.07   0.36
    28   1    -0.05  -0.05   0.13     0.01   0.01  -0.02    -0.16  -0.01   0.20
    29   1     0.01  -0.04  -0.03    -0.00   0.01   0.01     0.02  -0.10  -0.02
    30   1    -0.06   0.04  -0.00     0.01  -0.01   0.00    -0.07   0.05  -0.00
    31   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.04   0.01  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    648.9237               687.0249               714.5751
 Red. masses --      3.9163                 4.9638                 3.6986
 Frc consts  --      0.9717                 1.3804                 1.1127
 IR Inten    --      3.6854                 3.8769                 8.1926
 RamAct Fr= 1--      0.1580                 0.7628                 2.4173
  Dep-P Fr= 1--      0.6243                 0.2864                 0.1788
  Dep-U Fr= 1--      0.7687                 0.4453                 0.3033
 Alpha2 Fr= 1--      0.0004                 0.0081                 0.0347
 Beta2  Fr= 1--      0.0202                 0.0566                 0.1222
 AlphaG Fr= 1--     -0.0070                 0.0161                 0.0204
 Gamma2 Fr= 1--      0.3836                -0.3860                -1.5249
 Delta2 Fr= 1--      0.0904                -0.3892                -0.3489
 Raman1 Fr= 1--       0.632                  3.051                  9.669
 ROA1   Fr= 1--      39.718                -49.505               -157.560
 CID1   Fr= 1--      62.864                -16.225                -16.295
 Raman2 Fr= 1--       0.243                  0.679                  1.467
 ROA2   Fr= 1--       8.484                 -6.149                -33.807
 CID2   Fr= 1--      34.935                 -9.053                -23.052
 Raman3 Fr= 1--       0.486                  1.359                  2.933
 ROA3   Fr= 1--      39.718                -49.505               -157.560
 CID3   Fr= 1--      81.776                -36.439                -53.717
 RC180  Fr= 1--       0.537                 -0.109                 -0.393
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.02  -0.00     0.07   0.05  -0.05    -0.00  -0.03  -0.13
     2   6    -0.11   0.02  -0.09     0.06   0.04  -0.02     0.02  -0.01   0.00
     3   6    -0.04   0.13  -0.05     0.10  -0.12  -0.06    -0.06   0.00  -0.03
     4   6     0.11   0.01   0.04     0.00  -0.07   0.15    -0.11  -0.03   0.21
     5   6     0.07  -0.06  -0.08    -0.15  -0.02  -0.09     0.06   0.06  -0.02
     6   6     0.03  -0.17   0.04    -0.14   0.14   0.09     0.04   0.00   0.09
     7   6    -0.00  -0.11   0.08    -0.15   0.16   0.10     0.08  -0.13   0.08
     8   1    -0.13   0.09   0.00     0.07  -0.12  -0.16     0.01   0.05  -0.21
     9   1    -0.05   0.02  -0.02    -0.08  -0.00  -0.32     0.17   0.10  -0.48
    10   1     0.09  -0.17   0.26    -0.14   0.15   0.05     0.03   0.03  -0.16
    11   6     0.12   0.08   0.13     0.12   0.04  -0.01    -0.11  -0.07  -0.11
    12   6     0.01   0.01   0.01     0.02  -0.02   0.00    -0.03   0.03  -0.03
    13   6    -0.06   0.01   0.02     0.05  -0.03  -0.08     0.06   0.03  -0.04
    14   1     0.15   0.12   0.07     0.23   0.08  -0.11    -0.08  -0.13  -0.07
    15   1    -0.07  -0.08  -0.05    -0.10   0.03  -0.04     0.01   0.14   0.03
    16   1    -0.14   0.19  -0.12    -0.08   0.04  -0.02     0.12  -0.16   0.11
    17   1     0.01  -0.22   0.01     0.01  -0.22   0.06    -0.04   0.24   0.02
    18   8    -0.06  -0.03   0.01     0.04   0.02   0.09     0.08   0.02   0.00
    19   8     0.02   0.02  -0.06    -0.08  -0.01  -0.05    -0.02  -0.02   0.03
    20   1     0.03  -0.12  -0.19    -0.05   0.02   0.14     0.01   0.00   0.20
    21   6     0.03  -0.05  -0.08    -0.15   0.00  -0.09     0.12   0.04  -0.06
    22   6     0.01  -0.04   0.19    -0.01  -0.06   0.14    -0.03   0.00   0.15
    23   6    -0.11   0.09  -0.04     0.09  -0.11  -0.05     0.00   0.06  -0.04
    24   8     0.08   0.05  -0.01     0.09   0.03  -0.00    -0.09  -0.04  -0.04
    25   6     0.00   0.01  -0.00     0.04  -0.06  -0.01    -0.03   0.04   0.00
    26   1     0.08  -0.05  -0.08    -0.16   0.16   0.06     0.07  -0.15   0.15
    27   1     0.02   0.07  -0.47    -0.08   0.02  -0.33     0.12   0.08  -0.23
    28   1    -0.15   0.10  -0.30     0.07  -0.09  -0.25     0.08   0.12  -0.22
    29   1     0.02  -0.10  -0.01     0.05  -0.16  -0.02    -0.05   0.16   0.02
    30   1    -0.05   0.01   0.00    -0.02  -0.05  -0.01     0.04  -0.00   0.01
    31   1    -0.07   0.06   0.00    -0.03  -0.02  -0.00     0.03   0.02   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    750.8870               771.0566               785.8986
 Red. masses --      4.8980                 4.6412                 2.4463
 Frc consts  --      1.6271                 1.6257                 0.8902
 IR Inten    --      3.9005                 6.6843                 1.4835
 RamAct Fr= 1--      1.0396                60.1806                 3.1108
  Dep-P Fr= 1--      0.6159                 0.0608                 0.0520
  Dep-U Fr= 1--      0.7623                 0.1146                 0.0989
 Alpha2 Fr= 1--      0.0026                 1.1585                 0.0612
 Beta2  Fr= 1--      0.1321                 1.1496                 0.0513
 AlphaG Fr= 1--     -0.0584                 0.1039                -0.0891
 Gamma2 Fr= 1--      2.2831                 1.3913                -0.1652
 Delta2 Fr= 1--     -0.2822                 0.3888                 0.2223
 Raman1 Fr= 1--       4.158                240.722                 12.443
 ROA1   Fr= 1--     210.145                146.006                 -8.751
 CID1   Fr= 1--      50.537                  0.607                 -0.703
 Raman2 Fr= 1--       1.585                 13.796                  0.615
 ROA2   Fr= 1--      57.051                 30.280                 -5.744
 CID2   Fr= 1--      35.998                  2.195                 -9.334
 Raman3 Fr= 1--       3.170                 27.591                  1.231
 ROA3   Fr= 1--     210.145                146.006                 -8.751
 CID3   Fr= 1--      66.298                  5.292                 -7.111
 RC180  Fr= 1--       0.525                 -0.771                 -0.802
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.02     0.02   0.12  -0.06     0.03   0.02  -0.19
     2   6    -0.00  -0.01  -0.01    -0.01  -0.12   0.03    -0.03  -0.02   0.21
     3   6     0.01   0.02   0.00    -0.04   0.14   0.05     0.01  -0.03   0.04
     4   6     0.01   0.00  -0.01     0.02   0.03   0.02     0.02   0.02  -0.12
     5   6    -0.00   0.00  -0.01     0.04  -0.04   0.04    -0.02  -0.01   0.08
     6   6    -0.00  -0.02  -0.01     0.04  -0.27  -0.03     0.00   0.05  -0.07
     7   6    -0.01   0.03  -0.00    -0.06   0.28   0.06    -0.00  -0.04   0.02
     8   1     0.01   0.02   0.01    -0.07   0.13   0.02    -0.03  -0.09   0.40
     9   1    -0.03   0.01   0.06    -0.09   0.12  -0.19    -0.01  -0.04   0.16
    10   1    -0.02  -0.03   0.05     0.01  -0.25  -0.28     0.03   0.08  -0.17
    11   6     0.01  -0.01  -0.05    -0.10  -0.07  -0.10     0.03   0.02   0.02
    12   6     0.05  -0.15   0.04    -0.04   0.05  -0.04     0.01  -0.02   0.01
    13   6    -0.12   0.50  -0.02    -0.02  -0.01   0.05    -0.01   0.02   0.00
    14   1    -0.07  -0.26   0.24    -0.10  -0.15  -0.03    -0.00   0.03   0.03
    15   1    -0.09   0.22   0.10     0.03   0.17   0.03    -0.00  -0.04   0.00
    16   1     0.08  -0.39   0.28     0.14  -0.15   0.11    -0.03   0.02  -0.02
    17   1     0.03  -0.16   0.23    -0.05   0.32  -0.01     0.01  -0.08   0.01
    18   8     0.09  -0.12   0.04    -0.03  -0.01  -0.06    -0.01  -0.01   0.01
    19   8    -0.05  -0.09  -0.07     0.07   0.01   0.09    -0.01  -0.00  -0.01
    20   1     0.04  -0.37   0.03     0.03   0.07  -0.03    -0.01   0.01  -0.03
    21   6    -0.01   0.00   0.01    -0.05   0.05  -0.04     0.01   0.01  -0.10
    22   6     0.00  -0.00  -0.02    -0.02  -0.04   0.04    -0.00  -0.01   0.06
    23   6     0.00  -0.01   0.00     0.05  -0.14  -0.03    -0.02   0.02   0.02
    24   8     0.01   0.01   0.00     0.09   0.04   0.01    -0.01  -0.00   0.00
    25   6     0.01  -0.01  -0.00     0.03  -0.05  -0.00    -0.00   0.00   0.00
    26   1    -0.00   0.03  -0.03    -0.04   0.27   0.22    -0.05  -0.11   0.37
    27   1    -0.00  -0.01   0.01     0.10  -0.08   0.02    -0.05  -0.02   0.17
    28   1    -0.00  -0.02   0.04     0.10  -0.10  -0.17     0.05   0.13  -0.65
    29   1     0.01  -0.02  -0.00     0.06  -0.17  -0.03     0.00   0.02  -0.03
    30   1    -0.01  -0.00  -0.00    -0.04  -0.02  -0.00    -0.00  -0.01   0.00
    31   1    -0.01  -0.00  -0.00    -0.04  -0.01  -0.01     0.01   0.01   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    815.4413               828.5571               837.5278
 Red. masses --      2.9917                 1.4625                 1.8341
 Frc consts  --      1.1721                 0.5915                 0.7580
 IR Inten    --      8.7532                11.8337                12.7552
 RamAct Fr= 1--      3.9310                 0.5925                 1.0870
  Dep-P Fr= 1--      0.5948                 0.5562                 0.6387
  Dep-U Fr= 1--      0.7459                 0.7148                 0.7795
 Alpha2 Fr= 1--      0.0113                 0.0022                 0.0022
 Beta2  Fr= 1--      0.4887                 0.0706                 0.1412
 AlphaG Fr= 1--     -0.0748                -0.0012                 0.0327
 Gamma2 Fr= 1--     -1.0214                 0.7295                 1.0870
 Delta2 Fr= 1--     -0.8681                 0.0140                 0.5587
 Raman1 Fr= 1--      15.724                  2.370                  4.348
 ROA1   Fr= 1--    -125.830                 70.482                122.229
 CID1   Fr= 1--      -8.002                 29.742                 28.111
 Raman2 Fr= 1--       5.865                  0.847                  1.695
 ROA2   Fr= 1--     -17.569                 17.397                 21.618
 CID2   Fr= 1--      -2.996                 20.540                 12.756
 Raman3 Fr= 1--      11.729                  1.694                  3.389
 ROA3   Fr= 1--    -125.830                 70.482                122.229
 CID3   Fr= 1--     -10.728                 41.609                 36.061
 RC180  Fr= 1--       0.492                  0.430                  0.559
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.01    -0.00  -0.02   0.07    -0.03  -0.01   0.07
     2   6    -0.04   0.06  -0.03    -0.01   0.01  -0.02     0.02  -0.00  -0.05
     3   6     0.11  -0.05   0.03     0.02  -0.01   0.01    -0.04   0.01   0.02
     4   6     0.07   0.01  -0.04     0.00  -0.01   0.08    -0.01   0.01  -0.08
     5   6    -0.02  -0.02   0.06     0.01   0.01  -0.08    -0.01  -0.01   0.04
     6   6    -0.04   0.07   0.08     0.00   0.02  -0.04    -0.00  -0.03   0.06
     7   6    -0.02  -0.07  -0.02     0.00   0.00  -0.07     0.02   0.02  -0.08
     8   1     0.17  -0.01  -0.10     0.07   0.05  -0.32    -0.04   0.04  -0.19
     9   1     0.05   0.06  -0.40    -0.04  -0.06   0.31     0.03   0.05  -0.26
    10   1     0.10   0.19  -0.39    -0.05  -0.07   0.47     0.03   0.04  -0.35
    11   6     0.07  -0.01  -0.14     0.00  -0.02  -0.04     0.00   0.03   0.06
    12   6     0.01   0.01  -0.05    -0.01   0.02  -0.02     0.01  -0.03   0.03
    13   6    -0.10   0.01   0.10    -0.01  -0.00   0.01     0.02   0.00  -0.01
    14   1     0.13  -0.10  -0.08     0.05  -0.04  -0.04    -0.08   0.08   0.05
    15   1    -0.15   0.36  -0.02    -0.04   0.12  -0.01     0.05  -0.18   0.00
    16   1     0.02  -0.18   0.14     0.02  -0.06   0.05    -0.05   0.10  -0.08
    17   1    -0.01  -0.02   0.12    -0.01   0.04   0.03     0.03  -0.09  -0.04
    18   8    -0.11  -0.04  -0.05    -0.02  -0.01  -0.01     0.02   0.01   0.02
    19   8     0.11   0.02   0.12     0.03   0.01   0.03    -0.03  -0.00  -0.05
    20   1     0.05   0.02  -0.17     0.02  -0.01  -0.01    -0.02  -0.02   0.01
    21   6    -0.04  -0.04  -0.02     0.00   0.01  -0.07     0.02   0.03  -0.08
    22   6    -0.00  -0.01   0.05    -0.00  -0.01   0.02    -0.01  -0.02   0.12
    23   6    -0.08   0.07  -0.04    -0.02  -0.00   0.05     0.04  -0.01  -0.06
    24   8     0.02   0.02  -0.01     0.01   0.00  -0.00    -0.01  -0.00  -0.03
    25   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.01  -0.00
    26   1    -0.08  -0.11   0.06    -0.06  -0.08   0.38    -0.04  -0.07   0.50
    27   1    -0.10   0.01   0.01    -0.07  -0.08   0.44    -0.04  -0.08   0.49
    28   1    -0.20  -0.02   0.27     0.02   0.07  -0.35     0.02  -0.06   0.31
    29   1     0.02  -0.04   0.01     0.01  -0.01  -0.01    -0.01   0.02   0.02
    30   1    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.00
    31   1    -0.01   0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    866.5811               883.6118               922.5125
 Red. masses --      3.1828                 1.8283                 1.5100
 Frc consts  --      1.4083                 0.8410                 0.7571
 IR Inten    --      1.1826                35.6865                12.4049
 RamAct Fr= 1--     24.5122                 1.3234                 0.5267
  Dep-P Fr= 1--      0.1119                 0.7264                 0.7448
  Dep-U Fr= 1--      0.2012                 0.8415                 0.8538
 Alpha2 Fr= 1--      0.4168                 0.0005                 0.0000
 Beta2  Fr= 1--      0.8220                 0.1856                 0.0749
 AlphaG Fr= 1--      0.0944                 0.0277                 0.0051
 Gamma2 Fr= 1--     -0.3206                -0.7539                -0.3002
 Delta2 Fr= 1--     -0.4290                -0.2252                -0.0701
 Raman1 Fr= 1--      98.049                  5.294                  2.107
 ROA1   Fr= 1--     -44.504                -79.585                -31.060
 CID1   Fr= 1--      -0.454                -15.034                -14.743
 Raman2 Fr= 1--       9.864                  2.227                  0.899
 ROA2   Fr= 1--      -4.263                -16.292                 -6.644
 CID2   Fr= 1--      -0.432                 -7.315                 -7.387
 Raman3 Fr= 1--      19.728                  4.455                  1.799
 ROA3   Fr= 1--     -44.504                -79.585                -31.060
 CID3   Fr= 1--      -2.256                -17.866                -17.269
 RC180  Fr= 1--      -0.598                  0.683                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.03   0.02     0.00   0.01  -0.05    -0.01  -0.01   0.08
     2   6    -0.10   0.04  -0.00    -0.01  -0.03   0.14     0.01   0.01  -0.02
     3   6     0.19  -0.06  -0.00    -0.01   0.00   0.00     0.01   0.03  -0.17
     4   6     0.02   0.03   0.01    -0.00  -0.01   0.03    -0.00  -0.01   0.06
     5   6     0.06   0.01   0.01     0.00   0.01  -0.06    -0.01  -0.01  -0.00
     6   6     0.04  -0.02   0.01     0.01   0.02  -0.07    -0.01   0.00   0.02
     7   6    -0.03   0.01  -0.01    -0.00  -0.00   0.02     0.00  -0.00  -0.01
     8   1     0.35  -0.01   0.10    -0.02  -0.01   0.04    -0.13  -0.15   0.88
     9   1     0.07   0.01   0.02    -0.06  -0.08   0.45    -0.01  -0.00  -0.01
    10   1     0.16   0.03  -0.00    -0.04  -0.05   0.26     0.00   0.02  -0.08
    11   6    -0.16  -0.05   0.07     0.01  -0.01  -0.01     0.01  -0.02  -0.01
    12   6    -0.08   0.01   0.01    -0.00   0.01  -0.01    -0.01   0.02  -0.02
    13   6     0.06   0.01  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    14   1    -0.17  -0.11   0.14     0.04  -0.02  -0.02     0.07  -0.05  -0.01
    15   1     0.24  -0.23   0.09    -0.02   0.06  -0.01    -0.02   0.10   0.00
    16   1     0.17  -0.05  -0.01     0.00  -0.02   0.02     0.02  -0.04   0.03
    17   1    -0.06   0.44  -0.17    -0.01   0.01   0.02    -0.02   0.05   0.03
    18   8     0.07   0.03   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.06  -0.01  -0.06     0.01   0.00   0.01     0.01  -0.00   0.01
    20   1    -0.03  -0.00   0.10     0.01  -0.00   0.00    -0.00   0.05   0.02
    21   6    -0.06  -0.04  -0.03     0.00   0.01  -0.02     0.01   0.01  -0.04
    22   6    -0.03  -0.03   0.01    -0.01  -0.01   0.09     0.00  -0.00   0.02
    23   6    -0.18   0.08  -0.03     0.03   0.03  -0.17     0.01  -0.00   0.00
    24   8     0.07   0.06   0.01    -0.00   0.00  -0.02    -0.00  -0.00  -0.01
    25   6     0.04  -0.03  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1    -0.12  -0.03   0.03    -0.00  -0.01   0.04     0.02   0.01  -0.06
    27   1    -0.06  -0.06   0.05     0.00   0.00   0.00    -0.04  -0.05   0.32
    28   1    -0.37  -0.01   0.07    -0.08  -0.14   0.78     0.02  -0.00   0.02
    29   1     0.07  -0.17  -0.02    -0.01   0.00   0.03    -0.01   0.01   0.00
    30   1    -0.04   0.00  -0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
    31   1    -0.04   0.01  -0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    949.3422               964.6596               971.2346
 Red. masses --      3.5903                 1.3107                 1.3380
 Frc consts  --      1.9064                 0.7186                 0.7436
 IR Inten    --     25.4355                 0.3082                 0.7341
 RamAct Fr= 1--      0.7283                 1.2575                 0.7703
  Dep-P Fr= 1--      0.7498                 0.7497                 0.5770
  Dep-U Fr= 1--      0.8570                 0.8569                 0.7318
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0025
 Beta2  Fr= 1--      0.1040                 0.1796                 0.0940
 AlphaG Fr= 1--      0.0006                -0.0023                 0.0751
 Gamma2 Fr= 1--      0.4151                -0.0456                 0.3969
 Delta2 Fr= 1--     -0.8822                 0.1403                 0.2382
 Raman1 Fr= 1--       2.913                  5.030                  3.081
 ROA1   Fr= 1--      11.615                  0.111                 45.722
 CID1   Fr= 1--       3.987                  0.022                 14.838
 Raman2 Fr= 1--       1.248                  2.155                  1.127
 ROA2   Fr= 1--      17.019                 -2.217                  7.619
 CID2   Fr= 1--      13.634                 -1.029                  6.758
 Raman3 Fr= 1--       2.497                  4.311                  2.255
 ROA3   Fr= 1--      11.615                  0.111                 45.722
 CID3   Fr= 1--       4.652                  0.026                 20.277
 RC180  Fr= 1--       0.714                  0.714                  0.464
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06  -0.01    -0.01  -0.01   0.02    -0.00  -0.00  -0.02
     2   6    -0.07  -0.06  -0.02    -0.00  -0.00   0.00    -0.00   0.00  -0.02
     3   6    -0.05  -0.16  -0.05     0.00   0.00  -0.04    -0.01  -0.00   0.02
     4   6    -0.12  -0.03  -0.00    -0.00  -0.00   0.01     0.00  -0.00   0.01
     5   6     0.13   0.22   0.06     0.01   0.01  -0.02     0.02   0.02  -0.11
     6   6     0.04  -0.01  -0.01    -0.00  -0.00   0.02    -0.01  -0.01   0.11
     7   6     0.02   0.06   0.02     0.02   0.02  -0.11    -0.00  -0.01   0.03
     8   1    -0.08  -0.19   0.06    -0.03  -0.03   0.17     0.00   0.01  -0.09
     9   1     0.22   0.17   0.00    -0.01  -0.02   0.15    -0.07  -0.12   0.67
    10   1    -0.18  -0.10   0.04     0.01   0.02  -0.12     0.08   0.13  -0.65
    11   6     0.04   0.05  -0.04     0.00  -0.01   0.00     0.00  -0.01   0.00
    12   6     0.08  -0.03   0.02    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    13   6    -0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.19  -0.14     0.02  -0.01  -0.00     0.02  -0.01   0.00
    15   1    -0.15   0.01  -0.08    -0.01   0.02  -0.00    -0.01   0.02  -0.00
    16   1    -0.18   0.13  -0.05     0.00  -0.00   0.01    -0.00  -0.00   0.01
    17   1     0.08  -0.45   0.09    -0.00   0.00   0.01    -0.00   0.01   0.00
    18   8    -0.02  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   8     0.02   0.00   0.02     0.00  -0.00   0.00    -0.00   0.00   0.00
    20   1     0.02   0.01   0.02    -0.00   0.01   0.00     0.00  -0.01   0.00
    21   6     0.09   0.15   0.03    -0.01  -0.01   0.10     0.01   0.02  -0.01
    22   6    -0.08  -0.04  -0.01    -0.00   0.00  -0.01    -0.01  -0.00  -0.00
    23   6    -0.14  -0.09  -0.04    -0.00  -0.01  -0.00    -0.01  -0.02   0.01
    24   8     0.06   0.07   0.02     0.00   0.00   0.01     0.00   0.01   0.00
    25   6     0.06  -0.04  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.14   0.00  -0.06    -0.09  -0.13   0.70    -0.00   0.01  -0.16
    27   1     0.21   0.04   0.09     0.08   0.11  -0.61    -0.01   0.00   0.10
    28   1    -0.28  -0.15  -0.05    -0.00  -0.01  -0.02    -0.01  -0.01  -0.07
    29   1     0.09  -0.22  -0.03     0.00  -0.01  -0.00     0.01  -0.02  -0.00
    30   1    -0.06   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.06   0.01  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    981.2320              1013.8104              1061.6746
 Red. masses --      3.5064                 2.2773                 4.7054
 Frc consts  --      1.9891                 1.3791                 3.1248
 IR Inten    --      0.5744                11.5120                53.9358
 RamAct Fr= 1--     14.4569                 2.6765                 2.5366
  Dep-P Fr= 1--      0.1136                 0.5381                 0.4175
  Dep-U Fr= 1--      0.2040                 0.6997                 0.5891
 Alpha2 Fr= 1--      0.2448                 0.0109                 0.0176
 Beta2  Fr= 1--      0.4915                 0.3121                 0.2490
 AlphaG Fr= 1--     -0.1516                 0.0382                 0.0036
 Gamma2 Fr= 1--     -0.3835                 0.0595                 0.4697
 Delta2 Fr= 1--      0.1430                -2.0800                 0.2285
 Raman1 Fr= 1--      57.828                 10.706                 10.146
 ROA1   Fr= 1--     -32.235                -60.853                 52.401
 CID1   Fr= 1--      -0.557                 -5.684                  5.165
 Raman2 Fr= 1--       5.898                  3.746                  2.988
 ROA2   Fr= 1--     -10.347                 18.067                  9.445
 CID2   Fr= 1--      -1.754                  4.824                  3.160
 Raman3 Fr= 1--      11.795                  7.491                  5.977
 ROA3   Fr= 1--     -32.235                -60.853                 52.401
 CID3   Fr= 1--      -2.733                 -8.123                  8.768
 RC180  Fr= 1--      -0.592                  0.399                  0.178
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.01    -0.03   0.00  -0.00     0.02   0.01   0.00
     2   6    -0.03   0.02   0.00    -0.00  -0.02  -0.01     0.05  -0.03  -0.00
     3   6    -0.04   0.14   0.03    -0.03  -0.08  -0.00    -0.02   0.04   0.00
     4   6     0.07  -0.01  -0.01     0.03  -0.03  -0.05    -0.01  -0.01  -0.00
     5   6    -0.02  -0.13  -0.00     0.02   0.10   0.04    -0.01  -0.02  -0.01
     6   6    -0.01   0.13   0.01    -0.03   0.00  -0.01    -0.01   0.03   0.01
     7   6     0.01  -0.12  -0.02     0.00   0.03   0.01     0.08  -0.05   0.00
     8   1    -0.04   0.15  -0.02    -0.16  -0.13  -0.13    -0.05   0.03   0.01
     9   1     0.10  -0.18  -0.15    -0.02   0.16  -0.03     0.06  -0.08  -0.01
    10   1     0.21   0.21   0.16    -0.24  -0.08  -0.04    -0.04   0.02   0.00
    11   6     0.02  -0.06   0.05     0.10  -0.12   0.13    -0.00  -0.02   0.01
    12   6    -0.05   0.05  -0.03    -0.04   0.13  -0.10     0.02   0.02  -0.01
    13   6     0.01   0.01   0.01     0.02  -0.02   0.06     0.01  -0.00   0.01
    14   1     0.03  -0.17   0.15     0.14  -0.44   0.42    -0.06  -0.02   0.03
    15   1     0.04   0.08   0.02    -0.11   0.46  -0.02    -0.06   0.06  -0.03
    16   1     0.07  -0.03   0.03     0.03  -0.10   0.12    -0.06   0.03  -0.00
    17   1    -0.05   0.24  -0.02    -0.06   0.22   0.11     0.01  -0.08   0.03
    18   8     0.01   0.00   0.00     0.01   0.00   0.00     0.00   0.00  -0.00
    19   8    -0.02  -0.00  -0.03    -0.04  -0.01  -0.08    -0.01  -0.00  -0.01
    20   1    -0.02  -0.01  -0.04    -0.05  -0.02  -0.11    -0.01  -0.00  -0.02
    21   6     0.07   0.24   0.05     0.01  -0.02  -0.00    -0.02  -0.12  -0.02
    22   6    -0.07  -0.02  -0.01     0.01   0.00   0.00    -0.18   0.09  -0.01
    23   6    -0.01  -0.23  -0.04     0.00   0.02   0.01     0.02   0.06   0.01
    24   8     0.02   0.05   0.01     0.00  -0.01  -0.00    -0.13   0.29   0.04
    25   6     0.05  -0.05  -0.00    -0.01   0.01   0.00     0.14  -0.32  -0.04
    26   1    -0.35  -0.26  -0.09     0.08   0.06   0.01     0.32   0.04   0.04
    27   1    -0.05   0.33   0.06     0.04  -0.04   0.00     0.22  -0.33  -0.03
    28   1    -0.13  -0.29  -0.06     0.04   0.04   0.01     0.40   0.21   0.09
    29   1     0.07  -0.16  -0.02    -0.01   0.02   0.00     0.10  -0.15  -0.01
    30   1    -0.04  -0.01  -0.00    -0.00   0.01   0.00     0.14  -0.23  -0.05
    31   1    -0.04  -0.01  -0.01    -0.00   0.01   0.00     0.13  -0.23   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1078.8280              1091.2664              1149.9100
 Red. masses --      2.2889                 1.6725                 1.4790
 Frc consts  --      1.5696                 1.1735                 1.1522
 IR Inten    --     13.7734                 5.2937                19.4667
 RamAct Fr= 1--      6.6871                 5.8894                 0.6342
  Dep-P Fr= 1--      0.6237                 0.1471                 0.7197
  Dep-U Fr= 1--      0.7682                 0.2564                 0.8370
 Alpha2 Fr= 1--      0.0154                 0.0917                 0.0003
 Beta2  Fr= 1--      0.8562                 0.2517                 0.0885
 AlphaG Fr= 1--      0.0214                -0.1108                 0.0012
 Gamma2 Fr= 1--     -2.0227                 0.3520                -0.5611
 Delta2 Fr= 1--      0.0660                 0.1370                -1.0503
 Raman1 Fr= 1--      26.748                 23.557                  2.537
 ROA1   Fr= 1--    -192.068                 38.177                -87.480
 CID1   Fr= 1--      -7.181                  1.621                -34.482
 Raman2 Fr= 1--      10.274                  3.020                  1.062
 ROA2   Fr= 1--     -49.073                  7.352                 -5.065
 CID2   Fr= 1--      -4.776                  2.434                 -4.770
 Raman3 Fr= 1--      20.548                  6.040                  2.123
 ROA3   Fr= 1--    -192.068                 38.177                -87.480
 CID3   Fr= 1--      -9.347                  6.320                -41.197
 RC180  Fr= 1--       0.536                 -0.487                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.00    -0.04   0.01  -0.00     0.01  -0.08  -0.01
     2   6     0.01   0.02   0.01     0.01   0.00   0.00     0.02  -0.04  -0.00
     3   6    -0.01   0.01  -0.00    -0.04  -0.08  -0.01    -0.04   0.04   0.00
     4   6    -0.11   0.06   0.00     0.03   0.01  -0.01    -0.04   0.03  -0.01
     5   6    -0.01  -0.06  -0.02     0.01   0.02   0.01     0.01  -0.05  -0.01
     6   6     0.04  -0.03  -0.00     0.00  -0.01  -0.00    -0.02   0.05   0.01
     7   6    -0.01   0.01   0.00     0.00  -0.01  -0.00    -0.06   0.06   0.00
     8   1     0.17   0.08   0.05    -0.22  -0.15  -0.08     0.10   0.10   0.02
     9   1     0.06  -0.14   0.01    -0.01   0.04   0.00     0.22  -0.22  -0.01
    10   1     0.21   0.03   0.03    -0.07  -0.03  -0.02    -0.03   0.04   0.00
    11   6    -0.04   0.20   0.04     0.07   0.13   0.01     0.05  -0.02   0.01
    12   6     0.06  -0.11  -0.10    -0.11  -0.09   0.00    -0.02   0.02   0.01
    13   6     0.05  -0.11   0.07    -0.02   0.00  -0.05    -0.01   0.01  -0.01
    14   1     0.01  -0.08   0.28     0.43   0.01  -0.05     0.15  -0.05  -0.02
    15   1    -0.13   0.48   0.00     0.30  -0.19   0.17     0.04  -0.05   0.01
    16   1     0.08  -0.49   0.29     0.34  -0.27   0.06     0.02   0.05  -0.03
    17   1     0.02  -0.10   0.27    -0.09   0.53  -0.12    -0.01   0.05  -0.04
    18   8     0.01   0.03  -0.00    -0.03  -0.01   0.01    -0.00  -0.00   0.00
    19   8    -0.04   0.01  -0.04     0.03   0.01   0.03     0.01  -0.00   0.01
    20   1    -0.05   0.00  -0.13     0.03   0.01   0.07     0.01  -0.00   0.02
    21   6     0.01   0.00   0.00     0.02   0.01   0.00     0.05  -0.03   0.00
    22   6    -0.00  -0.00  -0.00    -0.01   0.01   0.00    -0.03  -0.00  -0.00
    23   6    -0.01   0.00  -0.00     0.01  -0.02  -0.00    -0.02   0.06   0.01
    24   8     0.00   0.00   0.00    -0.01   0.02   0.00     0.04  -0.03  -0.00
    25   6     0.00   0.00   0.00     0.01  -0.02  -0.00    -0.00   0.04   0.01
    26   1    -0.04  -0.00  -0.00     0.04   0.01   0.01    -0.40  -0.07  -0.06
    27   1     0.06  -0.04   0.00     0.04  -0.01   0.00     0.61  -0.48  -0.01
    28   1    -0.06  -0.02  -0.01     0.02  -0.01  -0.00     0.09   0.11   0.03
    29   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.02  -0.08  -0.01
    30   1    -0.01   0.00   0.00     0.01  -0.02  -0.00    -0.04   0.03   0.01
    31   1    -0.00   0.00  -0.00     0.01  -0.02   0.00    -0.04   0.03  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1174.1047              1181.5610              1190.9476
 Red. masses --      1.2767                 1.4243                 1.9536
 Frc consts  --      1.0370                 1.1715                 1.6326
 IR Inten    --      0.8538                 4.4606                32.3966
 RamAct Fr= 1--      1.0069                 2.7192                16.9815
  Dep-P Fr= 1--      0.7500                 0.6072                 0.4518
  Dep-U Fr= 1--      0.8571                 0.7556                 0.6224
 Alpha2 Fr= 1--      0.0000                 0.0072                 0.1034
 Beta2  Fr= 1--      0.1438                 0.3424                 1.7614
 AlphaG Fr= 1--     -0.0011                -0.0074                -0.0362
 Gamma2 Fr= 1--      0.0345                -0.7844                -8.3695
 Delta2 Fr= 1--      0.0087                -1.0390                 0.5660
 Raman1 Fr= 1--       4.028                 10.877                 67.926
 ROA1   Fr= 1--       3.592               -108.549               -785.359
 CID1   Fr= 1--       0.892                 -9.980                -11.562
 Raman2 Fr= 1--       1.726                  4.109                 21.137
 ROA2   Fr= 1--       0.759                -10.513               -205.396
 CID2   Fr= 1--       0.440                 -2.558                 -9.717
 Raman3 Fr= 1--       3.452                  8.218                 42.274
 ROA3   Fr= 1--       3.592               -108.549               -785.359
 CID3   Fr= 1--       1.040                -13.208                -18.578
 RC180  Fr= 1--       0.714                  0.511                  0.245
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.03  -0.03  -0.01     0.05   0.03   0.01
     2   6     0.00   0.00  -0.00     0.00   0.07   0.01     0.06   0.06   0.02
     3   6    -0.00   0.00  -0.00    -0.01  -0.06  -0.01    -0.02  -0.01  -0.01
     4   6     0.00   0.00   0.00    -0.04   0.04  -0.01     0.02   0.01   0.03
     5   6     0.00  -0.00   0.00    -0.07   0.01  -0.00     0.01  -0.01  -0.01
     6   6    -0.00  -0.00   0.00     0.07  -0.06  -0.00    -0.02  -0.04  -0.01
     7   6    -0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.04  -0.02  -0.01
     8   1    -0.00  -0.00  -0.00     0.13  -0.01   0.00    -0.23  -0.10   0.00
     9   1     0.00  -0.00  -0.00    -0.55   0.38  -0.00    -0.11   0.08   0.02
    10   1    -0.00  -0.00  -0.00     0.57   0.13   0.10    -0.19  -0.11  -0.04
    11   6    -0.00   0.00  -0.00     0.02  -0.04   0.02     0.01   0.02  -0.11
    12   6    -0.00  -0.00  -0.00     0.00   0.03   0.00    -0.01  -0.01   0.04
    13   6     0.00  -0.00   0.00    -0.01   0.01  -0.02     0.03  -0.00   0.18
    14   1    -0.00   0.00   0.00     0.13  -0.05  -0.03    -0.07   0.02  -0.06
    15   1     0.00   0.00   0.00    -0.02  -0.00  -0.01     0.06  -0.14   0.03
    16   1     0.00  -0.00   0.00    -0.02   0.05  -0.02     0.02   0.10  -0.09
    17   1    -0.00   0.00   0.00     0.00  -0.03  -0.00     0.00   0.07  -0.10
    18   8     0.00   0.00  -0.00    -0.01  -0.00   0.00     0.05   0.02  -0.01
    19   8    -0.00  -0.00   0.00     0.01   0.00   0.00    -0.07  -0.02  -0.04
    20   1    -0.00  -0.00  -0.00     0.03   0.01   0.10    -0.16  -0.02  -0.55
    21   6    -0.00  -0.00   0.00     0.03   0.02   0.01     0.03  -0.01   0.00
    22   6     0.00   0.00   0.00     0.02  -0.02  -0.00     0.05   0.01   0.01
    23   6    -0.00   0.00   0.00     0.04   0.00   0.01    -0.01  -0.00  -0.00
    24   8     0.01   0.01  -0.06    -0.03   0.03   0.00    -0.02   0.03   0.00
    25   6    -0.02  -0.02   0.13     0.00  -0.03  -0.00    -0.03  -0.04  -0.01
    26   1     0.00   0.00  -0.00    -0.17  -0.06  -0.03    -0.34  -0.14  -0.07
    27   1     0.00   0.00  -0.01     0.21  -0.12   0.00     0.13  -0.09  -0.00
    28   1     0.00   0.00  -0.02    -0.09  -0.05  -0.02    -0.33  -0.13  -0.06
    29   1     0.03   0.05  -0.28    -0.02   0.07   0.01    -0.08   0.24   0.03
    30   1    -0.22   0.63  -0.10     0.03  -0.02  -0.01     0.12  -0.05  -0.02
    31   1     0.26  -0.56  -0.25     0.03  -0.02   0.01     0.11  -0.06   0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1196.3352              1198.5238              1222.2210
 Red. masses --      1.6145                 1.7016                 1.7332
 Frc consts  --      1.3614                 1.4402                 1.5254
 IR Inten    --     28.3420                11.5245                17.9334
 RamAct Fr= 1--     43.9122                11.4182                 2.1568
  Dep-P Fr= 1--      0.1489                 0.6908                 0.3502
  Dep-U Fr= 1--      0.2591                 0.8172                 0.5187
 Alpha2 Fr= 1--      0.6808                 0.0118                 0.0189
 Beta2  Fr= 1--      1.8965                 1.5551                 0.1865
 AlphaG Fr= 1--     -0.0440                -0.0203                -0.0251
 Gamma2 Fr= 1--      8.3150                 6.8680                 0.0924
 Delta2 Fr= 1--      1.0265                 0.2674                 0.1563
 Raman1 Fr= 1--     175.649                 45.673                  8.627
 ROA1   Fr= 1--     831.093                667.886                 13.870
 CID1   Fr= 1--       4.732                 14.623                  1.608
 Raman2 Fr= 1--      22.758                 18.661                  2.237
 ROA2   Fr= 1--     191.349                162.694                  0.966
 CID2   Fr= 1--       8.408                  8.718                  0.432
 Raman3 Fr= 1--      45.516                 37.322                  4.475
 ROA3   Fr= 1--     831.093                667.886                 13.870
 CID3   Fr= 1--      18.259                 17.895                  3.099
 RC180  Fr= 1--      -0.482                  0.634                  0.037
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.01    -0.06  -0.03  -0.01    -0.07  -0.04  -0.02
     2   6    -0.02  -0.01  -0.00    -0.06  -0.04  -0.01    -0.11  -0.06  -0.03
     3   6     0.02   0.01   0.00     0.02  -0.01  -0.01     0.03   0.01   0.00
     4   6     0.15  -0.07   0.01    -0.00  -0.02   0.02     0.03  -0.04   0.00
     5   6     0.00   0.05   0.01    -0.02   0.02  -0.00     0.01   0.03   0.01
     6   6    -0.01   0.03   0.00     0.03   0.03   0.01     0.00   0.05   0.01
     7   6    -0.02  -0.04  -0.01     0.03   0.01   0.01     0.00   0.03   0.01
     8   1    -0.45  -0.17  -0.08     0.10   0.02   0.05     0.13   0.04   0.03
     9   1    -0.27   0.26   0.01    -0.10   0.09   0.02     0.08  -0.01   0.01
    10   1     0.01   0.04   0.01     0.32   0.15   0.07     0.19   0.13   0.05
    11   6    -0.10   0.05   0.01     0.04   0.02  -0.08     0.00   0.02  -0.01
    12   6     0.02  -0.04  -0.03    -0.03  -0.01   0.03    -0.01  -0.01  -0.00
    13   6     0.01  -0.02  -0.03     0.02  -0.00   0.13     0.00  -0.01   0.02
    14   1    -0.39   0.14   0.06     0.01   0.01  -0.05    -0.10   0.04   0.02
    15   1    -0.05   0.11  -0.01     0.07  -0.12   0.04     0.02  -0.00   0.01
    16   1    -0.03  -0.13   0.08     0.05   0.06  -0.07     0.03  -0.03   0.00
    17   1     0.01  -0.02   0.08    -0.01   0.09  -0.10    -0.01   0.03  -0.01
    18   8    -0.01   0.00  -0.00     0.03   0.01  -0.01     0.00   0.00  -0.00
    19   8     0.01   0.01   0.00    -0.05  -0.01  -0.03    -0.01  -0.00  -0.00
    20   1     0.03   0.00   0.10    -0.12  -0.01  -0.39    -0.02   0.00  -0.05
    21   6     0.01  -0.01  -0.00    -0.02   0.01  -0.00     0.00   0.01   0.00
    22   6    -0.04   0.00  -0.00    -0.07  -0.01  -0.01     0.01  -0.01  -0.00
    23   6     0.01   0.01   0.00     0.02   0.00   0.00     0.01  -0.03  -0.00
    24   8     0.02  -0.02  -0.00     0.01  -0.04  -0.01     0.09   0.03   0.02
    25   6     0.01   0.03   0.01     0.05   0.06   0.02    -0.13  -0.04  -0.02
    26   1    -0.34  -0.16  -0.07     0.26   0.10   0.05     0.07   0.06   0.02
    27   1     0.22  -0.18  -0.00    -0.03   0.02  -0.00     0.08  -0.05   0.00
    28   1     0.25   0.10   0.05     0.43   0.16   0.08     0.26   0.06   0.04
    29   1     0.04  -0.13  -0.02     0.14  -0.38  -0.05    -0.25   0.59   0.07
    30   1    -0.05   0.02   0.01    -0.19   0.08   0.04     0.38  -0.14  -0.06
    31   1    -0.05   0.03  -0.02    -0.18   0.10  -0.05     0.36  -0.17   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1251.8686              1297.6251              1302.0309
 Red. masses --      2.3392                 1.9761                 1.7375
 Frc consts  --      2.1599                 1.9605                 1.7355
 IR Inten    --    150.6374                85.2340                19.9386
 RamAct Fr= 1--      6.5958                 6.1328                 8.4414
  Dep-P Fr= 1--      0.2947                 0.3367                 0.4154
  Dep-U Fr= 1--      0.4552                 0.5038                 0.5869
 Alpha2 Fr= 1--      0.0687                 0.0562                 0.0591
 Beta2  Fr= 1--      0.5004                 0.5149                 0.8258
 AlphaG Fr= 1--      0.0684                 0.0445                -0.0290
 Gamma2 Fr= 1--     -0.0544                 2.9460                -8.6448
 Delta2 Fr= 1--     -0.8288                 0.3056                -1.4321
 Raman1 Fr= 1--      26.383                 24.531                 33.766
 ROA1   Fr= 1--     -31.748                292.594               -875.730
 CID1   Fr= 1--      -1.203                 11.927                -25.936
 Raman2 Fr= 1--       6.005                  6.179                  9.909
 ROA2   Fr= 1--       5.324                 68.259               -196.018
 CID2   Fr= 1--       0.887                 11.047                -19.781
 Raman3 Fr= 1--      12.011                 12.358                 19.819
 ROA3   Fr= 1--     -31.748                292.594               -875.730
 CID3   Fr= 1--      -2.643                 23.677                -44.187
 RC180  Fr= 1--      -0.090                  0.008                  0.174
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.16   0.10   0.04     0.02  -0.07  -0.01    -0.05   0.11   0.01
     2   6     0.01   0.01   0.00     0.15  -0.03   0.01    -0.01   0.12   0.02
     3   6    -0.04  -0.04  -0.01    -0.05   0.02  -0.00     0.03  -0.04  -0.01
     4   6    -0.09   0.11  -0.01     0.03  -0.01   0.01    -0.03  -0.01   0.01
     5   6     0.01  -0.01   0.00    -0.02  -0.03  -0.01     0.02  -0.01  -0.00
     6   6    -0.00  -0.04  -0.01     0.01   0.04   0.01    -0.00  -0.05  -0.01
     7   6     0.01  -0.06  -0.01    -0.02  -0.01  -0.00    -0.01  -0.07  -0.01
     8   1    -0.46  -0.19  -0.10     0.01   0.04   0.02     0.44   0.11   0.09
     9   1     0.06  -0.06  -0.01    -0.32   0.20   0.00    -0.03   0.03   0.02
    10   1     0.33   0.09   0.06    -0.00   0.03   0.01    -0.31  -0.18  -0.07
    11   6    -0.02  -0.04   0.01     0.03   0.01  -0.02     0.05   0.04  -0.07
    12   6     0.02   0.02   0.01    -0.01  -0.01   0.00    -0.01   0.01   0.04
    13   6    -0.01   0.01   0.01     0.00  -0.01  -0.00     0.00  -0.02  -0.02
    14   1     0.39  -0.13  -0.10    -0.27  -0.01   0.15    -0.25  -0.34   0.44
    15   1    -0.04  -0.02  -0.03     0.02  -0.01   0.02     0.03  -0.12   0.02
    16   1    -0.07   0.08  -0.02     0.03  -0.00  -0.01     0.04   0.09  -0.06
    17   1     0.02  -0.06   0.02    -0.01   0.03  -0.03     0.01  -0.06  -0.10
    18   8     0.01  -0.00  -0.00    -0.02  -0.00   0.00    -0.03  -0.01   0.00
    19   8     0.00  -0.00  -0.00     0.01   0.00  -0.01     0.01   0.01  -0.01
    20   1     0.01  -0.00   0.05     0.02  -0.00   0.09     0.05  -0.00   0.18
    21   6    -0.02  -0.05  -0.01    -0.02   0.01  -0.00     0.02   0.01   0.00
    22   6    -0.12   0.07  -0.00    -0.12   0.11   0.00    -0.07   0.02  -0.00
    23   6    -0.07  -0.05  -0.02    -0.07  -0.01  -0.01     0.03  -0.05  -0.01
    24   8     0.11  -0.03   0.01     0.09  -0.04   0.00     0.03  -0.01   0.00
    25   6    -0.05   0.04   0.00    -0.03   0.04   0.00    -0.01   0.02   0.00
    26   1    -0.09  -0.11  -0.03     0.58   0.22   0.11    -0.13  -0.12  -0.04
    27   1    -0.21   0.09  -0.01     0.13  -0.12  -0.01     0.09  -0.06   0.00
    28   1     0.39   0.12   0.07    -0.44  -0.14  -0.08     0.28   0.05   0.04
    29   1    -0.04   0.04   0.00    -0.01  -0.01  -0.00     0.00  -0.05  -0.01
    30   1     0.14  -0.05  -0.00     0.09  -0.05   0.01     0.05  -0.03   0.00
    31   1     0.14  -0.06   0.02     0.09  -0.04  -0.00     0.05  -0.02  -0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1305.0618              1328.0274              1342.4154
 Red. masses --      1.5657                 1.7304                 1.7761
 Frc consts  --      1.5712                 1.7981                 1.8858
 IR Inten    --     32.5200               252.5440                12.8637
 RamAct Fr= 1--     10.8828                 1.6314                12.9129
  Dep-P Fr= 1--      0.4169                 0.6156                 0.2395
  Dep-U Fr= 1--      0.5885                 0.7621                 0.3865
 Alpha2 Fr= 1--      0.0758                 0.0040                 0.1576
 Beta2  Fr= 1--      1.0674                 0.2072                 0.8318
 AlphaG Fr= 1--      0.0606                 0.0089                 0.1099
 Gamma2 Fr= 1--      6.9793                -0.5168                 0.0677
 Delta2 Fr= 1--     -1.1733                 0.0869                -1.7314
 Raman1 Fr= 1--      43.531                  6.525                 51.652
 ROA1   Fr= 1--     632.465                -46.834                -48.907
 CID1   Fr= 1--      14.529                 -7.177                 -0.947
 Raman2 Fr= 1--      12.809                  2.487                  9.982
 ROA2   Fr= 1--     176.889                -13.098                 15.476
 CID2   Fr= 1--      13.809                 -5.268                  1.550
 Raman3 Fr= 1--      25.618                  4.973                 19.963
 ROA3   Fr= 1--     632.465                -46.834                -48.907
 CID3   Fr= 1--      24.688                 -9.418                 -2.450
 RC180  Fr= 1--       0.177                  0.524                 -0.227
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.05  -0.00     0.00   0.00   0.00    -0.09  -0.02  -0.01
     2   6    -0.01  -0.08  -0.02    -0.00   0.00   0.00    -0.03   0.01  -0.00
     3   6    -0.02   0.03  -0.00     0.00   0.00  -0.00     0.06  -0.03   0.00
     4   6    -0.02   0.01   0.02    -0.00  -0.00   0.00     0.10   0.05   0.00
     5   6    -0.02   0.02  -0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.00
     6   6    -0.00   0.02   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
     7   6     0.01   0.05   0.01     0.00   0.00   0.00    -0.03  -0.02  -0.01
     8   1    -0.35  -0.09  -0.04     0.01   0.01   0.02    -0.16  -0.12  -0.04
     9   1     0.08  -0.06   0.01     0.02  -0.02   0.00     0.11  -0.10  -0.01
    10   1     0.29   0.13   0.06    -0.02  -0.01  -0.00    -0.04  -0.00  -0.01
    11   6     0.06   0.05  -0.09     0.02  -0.01  -0.02    -0.16   0.04  -0.04
    12   6    -0.00   0.00   0.05    -0.01  -0.02  -0.01     0.06   0.01   0.05
    13   6     0.01  -0.02  -0.02     0.02   0.01   0.19     0.01  -0.01   0.03
    14   1    -0.27  -0.43   0.54     0.01   0.24  -0.25     0.56  -0.46   0.09
    15   1     0.02  -0.13   0.02     0.00   0.08   0.03    -0.16  -0.08  -0.09
    16   1     0.01   0.14  -0.09     0.03   0.00  -0.04    -0.18   0.16  -0.03
    17   1     0.02  -0.00  -0.10    -0.01   0.09  -0.03     0.07  -0.10  -0.04
    18   8    -0.04  -0.01   0.00    -0.04  -0.01  -0.03     0.01   0.00  -0.01
    19   8     0.01   0.01  -0.01     0.01   0.01  -0.13    -0.00   0.00  -0.02
    20   1     0.06   0.00   0.20     0.21   0.01   0.87     0.03   0.01   0.13
    21   6    -0.01  -0.02  -0.00    -0.00  -0.00  -0.00    -0.00   0.04   0.01
    22   6     0.07  -0.04   0.00     0.01  -0.01  -0.00     0.01   0.03   0.01
    23   6    -0.01   0.04   0.00     0.00   0.00   0.00     0.05  -0.02   0.00
    24   8    -0.04   0.02  -0.00    -0.01   0.00  -0.00    -0.01  -0.01  -0.00
    25   6     0.01  -0.02  -0.00     0.00  -0.00  -0.00     0.01   0.00   0.00
    26   1    -0.09   0.01  -0.01    -0.03  -0.01  -0.00     0.28   0.10   0.05
    27   1    -0.15   0.10  -0.00    -0.02   0.01   0.00     0.24  -0.16   0.00
    28   1    -0.09   0.01  -0.01    -0.00   0.00   0.00    -0.13  -0.09  -0.03
    29   1     0.00   0.03   0.01     0.00   0.00   0.00     0.01   0.00   0.00
    30   1    -0.05   0.03  -0.01    -0.01  -0.00   0.00    -0.02   0.00   0.01
    31   1    -0.05   0.02   0.00    -0.00  -0.00  -0.00    -0.02   0.00  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1385.7297              1407.3526              1412.7108
 Red. masses --      1.8058                 4.8688                 1.2713
 Frc consts  --      2.0431                 5.6817                 1.4948
 IR Inten    --     15.0501                 3.5742                12.5193
 RamAct Fr= 1--     12.5006               630.4187                17.2982
  Dep-P Fr= 1--      0.2147                 0.2221                 0.1820
  Dep-U Fr= 1--      0.3534                 0.3634                 0.3080
 Alpha2 Fr= 1--      0.1632                 8.0692                 0.2463
 Beta2  Fr= 1--      0.7364                38.1861                 0.8878
 AlphaG Fr= 1--     -0.2151                 2.3305                 0.1467
 Gamma2 Fr= 1--      0.8512                 5.9228                -1.1120
 Delta2 Fr= 1--      2.0728                -4.0245                -1.4007
 Raman1 Fr= 1--      50.002               2521.675                 69.193
 ROA1   Fr= 1--     148.046                439.806               -151.576
 CID1   Fr= 1--       2.961                  0.174                 -2.191
 Raman2 Fr= 1--       8.837                458.233                 10.654
 ROA2   Fr= 1--       3.847                174.343                -15.483
 CID2   Fr= 1--       0.435                  0.380                 -1.453
 Raman3 Fr= 1--      17.673                916.466                 21.308
 ROA3   Fr= 1--     148.046                439.806               -151.576
 CID3   Fr= 1--       8.377                  0.480                 -7.113
 RC180  Fr= 1--      -0.293                 -0.273                 -0.384
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06  -0.01    -0.10   0.28   0.04    -0.02   0.02   0.00
     2   6     0.06  -0.01   0.01     0.08  -0.27  -0.04     0.01  -0.01  -0.00
     3   6    -0.06   0.05   0.00     0.15   0.07   0.03     0.02   0.01   0.00
     4   6     0.02  -0.09  -0.03    -0.09  -0.20  -0.05    -0.02  -0.01  -0.00
     5   6     0.01  -0.04  -0.01    -0.17   0.10  -0.00    -0.04   0.01  -0.00
     6   6     0.06   0.06   0.02     0.16   0.04   0.03     0.03  -0.01   0.00
     7   6     0.05   0.06   0.02    -0.03  -0.07  -0.02     0.01  -0.01  -0.00
     8   1     0.15   0.14   0.04     0.09   0.06   0.02     0.00   0.00  -0.00
     9   1    -0.38   0.26  -0.00     0.07  -0.09  -0.01     0.03  -0.04  -0.00
    10   1    -0.35  -0.10  -0.06     0.13   0.02   0.02    -0.02  -0.03  -0.01
    11   6    -0.07   0.05  -0.01     0.00   0.03  -0.00     0.02  -0.00   0.01
    12   6     0.02   0.01   0.02    -0.02   0.05  -0.00     0.04  -0.12   0.04
    13   6     0.00  -0.00   0.01     0.00  -0.00   0.02    -0.01  -0.00  -0.03
    14   1     0.45  -0.24   0.01     0.36  -0.13  -0.03    -0.02   0.02   0.00
    15   1    -0.05  -0.06  -0.03     0.13  -0.18   0.01    -0.34   0.46   0.02
    16   1    -0.05   0.04   0.00     0.12  -0.10   0.09    -0.24   0.35  -0.32
    17   1     0.02  -0.05  -0.03    -0.02  -0.21   0.04     0.04   0.57  -0.19
    18   8     0.01   0.00  -0.00     0.00   0.00  -0.00     0.01   0.00   0.00
    19   8    -0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.00   0.00   0.01
    20   1     0.01  -0.00   0.04     0.00   0.01   0.01    -0.01  -0.00  -0.04
    21   6     0.02  -0.01  -0.00     0.03  -0.04  -0.00    -0.00   0.00  -0.00
    22   6    -0.04  -0.12  -0.03     0.01   0.11   0.02    -0.01  -0.01  -0.00
    23   6    -0.07   0.06   0.00    -0.05   0.00  -0.01    -0.00   0.01   0.00
    24   8     0.02   0.02   0.01    -0.00  -0.01  -0.00     0.01  -0.00   0.00
    25   6    -0.02   0.00  -0.00     0.01   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.22  -0.04  -0.03    -0.29  -0.18  -0.07    -0.04  -0.03  -0.01
    27   1    -0.30   0.24   0.01     0.06  -0.07  -0.01    -0.01   0.00  -0.00
    28   1     0.16   0.16   0.05    -0.41  -0.14  -0.07    -0.04  -0.00  -0.01
    29   1    -0.02  -0.01  -0.00     0.01   0.04   0.01    -0.00  -0.01  -0.00
    30   1     0.07  -0.02  -0.01    -0.05   0.01   0.01     0.02  -0.01   0.00
    31   1     0.07  -0.02   0.02    -0.05   0.02  -0.02     0.02  -0.01  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1427.1913              1454.1039              1476.8079
 Red. masses --      3.3694                 3.6749                 1.2392
 Frc consts  --      4.0436                 4.5781                 1.5924
 IR Inten    --     75.6317                11.1073                 6.1647
 RamAct Fr= 1--     96.4729               167.6454                10.5386
  Dep-P Fr= 1--      0.2019                 0.2359                 0.6461
  Dep-U Fr= 1--      0.3359                 0.3817                 0.7850
 Alpha2 Fr= 1--      1.3036                 2.0663                 0.0197
 Beta2  Fr= 1--      5.4016                10.6660                 1.3788
 AlphaG Fr= 1--     -0.1260                -0.5419                 0.0102
 Gamma2 Fr= 1--      0.1573                 1.7450                 2.4031
 Delta2 Fr= 1--      8.4883                -0.1563                 0.3113
 Raman1 Fr= 1--     385.891                670.582                 42.155
 ROA1   Fr= 1--     286.724                162.519                240.663
 CID1   Fr= 1--       0.743                  0.242                  5.709
 Raman2 Fr= 1--      64.819                127.992                 16.546
 ROA2   Fr= 1--     -64.132                 43.130                 55.185
 CID2   Fr= 1--      -0.989                  0.337                  3.335
 Raman3 Fr= 1--     129.638                255.983                 33.091
 ROA3   Fr= 1--     286.724                162.519                240.663
 CID3   Fr= 1--       2.212                  0.635                  7.273
 RC180  Fr= 1--      -0.328                 -0.237                  0.570
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.02    -0.19   0.00  -0.02     0.02  -0.00   0.00
     2   6     0.05  -0.10  -0.01     0.18  -0.01   0.02    -0.00   0.02   0.00
     3   6    -0.10  -0.07  -0.02     0.11  -0.06   0.00     0.02   0.02   0.00
     4   6     0.08   0.02   0.01     0.04   0.19   0.04    -0.03   0.00  -0.00
     5   6     0.13  -0.04   0.01    -0.12  -0.05  -0.02    -0.01  -0.02  -0.00
     6   6    -0.13   0.05  -0.01     0.10  -0.00   0.01     0.04   0.01   0.01
     7   6    -0.15   0.02  -0.01    -0.12   0.02  -0.01    -0.00  -0.03  -0.00
     8   1     0.52   0.16   0.09    -0.32  -0.23  -0.08    -0.10  -0.03  -0.02
     9   1    -0.17   0.21   0.02     0.11  -0.24  -0.03    -0.08   0.04  -0.00
    10   1     0.23   0.21   0.07    -0.13  -0.10  -0.03    -0.14  -0.06  -0.03
    11   6    -0.04   0.01   0.00     0.02  -0.05  -0.01     0.01  -0.00   0.00
    12   6     0.02  -0.03   0.02     0.00   0.02  -0.02    -0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.04  -0.03   0.00    -0.33   0.12   0.01     0.00  -0.00   0.00
    15   1    -0.13   0.11  -0.02     0.04  -0.07  -0.02     0.03   0.01   0.02
    16   1    -0.05   0.08  -0.07    -0.02  -0.06   0.07    -0.00   0.02  -0.02
    17   1     0.02   0.09  -0.09    -0.01  -0.04   0.06    -0.01   0.00   0.03
    18   8     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1     0.01  -0.01   0.03    -0.01   0.01  -0.02     0.00   0.00   0.00
    21   6     0.16  -0.09   0.00     0.16   0.02   0.02    -0.04   0.04   0.00
    22   6     0.13   0.14   0.04     0.00  -0.15  -0.03    -0.01  -0.02  -0.00
    23   6    -0.14  -0.10  -0.03    -0.15   0.03  -0.01    -0.03  -0.01  -0.00
    24   8    -0.06   0.00  -0.01    -0.00   0.04   0.01     0.03  -0.02   0.00
    25   6     0.04  -0.04  -0.00    -0.03  -0.01  -0.00     0.05  -0.08  -0.01
    26   1     0.01   0.10   0.02     0.10   0.13   0.03     0.12   0.02   0.02
    27   1    -0.11   0.14   0.01    -0.11   0.26   0.03     0.11  -0.08  -0.00
    28   1     0.30   0.06   0.05     0.36   0.23   0.09     0.14   0.06   0.03
    29   1    -0.00   0.14   0.02    -0.01  -0.11  -0.02    -0.08   0.56   0.09
    30   1    -0.16   0.14  -0.03     0.14   0.05  -0.05    -0.31   0.40  -0.13
    31   1    -0.17   0.13   0.04     0.12   0.02   0.09    -0.35   0.34   0.18
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1493.4721              1497.9606              1506.0665
 Red. masses --      1.0460                 1.0491                 1.0643
 Frc consts  --      1.3746                 1.3870                 1.4224
 IR Inten    --      8.7972                11.2825                37.1904
 RamAct Fr= 1--      9.8414                 5.3016                 2.4676
  Dep-P Fr= 1--      0.7491                 0.7499                 0.7220
  Dep-U Fr= 1--      0.8565                 0.8571                 0.8386
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0012
 Beta2  Fr= 1--      1.4049                 0.7573                 0.3449
 AlphaG Fr= 1--     -0.0106                -0.0012                 0.0043
 Gamma2 Fr= 1--     -0.5218                 0.0347                -0.4887
 Delta2 Fr= 1--     -0.2954                -1.3986                -0.0286
 Raman1 Fr= 1--      39.365                 21.207                  9.870
 ROA1   Fr= 1--     -59.546                -41.428                -47.828
 CID1   Fr= 1--      -1.513                 -1.954                 -4.846
 Raman2 Fr= 1--      16.859                  9.088                  4.139
 ROA2   Fr= 1--     -10.160                 12.020                -11.500
 CID2   Fr= 1--      -0.603                  1.323                 -2.779
 Raman3 Fr= 1--      33.717                 18.176                  8.277
 ROA3   Fr= 1--     -59.546                -41.428                -47.828
 CID3   Fr= 1--      -1.766                 -2.279                 -5.778
 RC180  Fr= 1--       0.713                  0.714                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.01   0.01   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.01   0.00   0.00    -0.01   0.01   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.02  -0.00
     5   6     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.00   0.01   0.00
     6   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.02  -0.01  -0.00
     7   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.01  -0.00
     8   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.02   0.02   0.01
     9   1    -0.00   0.00  -0.00    -0.03   0.02   0.00     0.03  -0.00   0.00
    10   1    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00     0.05   0.02   0.01
    11   6     0.00  -0.00   0.00    -0.03  -0.00  -0.01    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.03  -0.03  -0.03    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.05  -0.07   0.01     0.03  -0.00  -0.00
    15   1     0.00   0.00   0.00     0.52   0.29   0.35    -0.02   0.03   0.00
    16   1     0.00   0.00  -0.00     0.04   0.32  -0.37     0.05  -0.00  -0.01
    17   1    -0.00  -0.00   0.00    -0.08  -0.16   0.48     0.01  -0.03  -0.05
    18   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    20   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    21   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
    22   6     0.00   0.00  -0.00     0.01  -0.00   0.00     0.01   0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    24   8     0.00   0.00  -0.01    -0.01   0.00  -0.00    -0.02  -0.01  -0.00
    25   6     0.01   0.01  -0.06    -0.00   0.00   0.00    -0.04  -0.03  -0.01
    26   1     0.00   0.00  -0.00     0.02   0.01   0.00     0.02  -0.00   0.00
    27   1     0.00   0.00  -0.00     0.01  -0.00   0.00     0.03  -0.03  -0.00
    28   1     0.00   0.00  -0.03     0.01   0.00   0.00    -0.04  -0.01  -0.01
    29   1    -0.09  -0.12   0.70     0.01  -0.04  -0.01     0.04  -0.36  -0.06
    30   1    -0.48   0.07   0.02     0.03  -0.02   0.00     0.36   0.48  -0.26
    31   1     0.47  -0.09   0.11     0.03  -0.02  -0.00     0.27   0.35   0.48
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1510.3555              1525.3906              1544.4454
 Red. masses --      1.0532                 2.4071                 3.5186
 Frc consts  --      1.4156                 3.2999                 4.9450
 IR Inten    --      7.2695                46.7227                34.2361
 RamAct Fr= 1--     10.6090               132.6201                 0.4667
  Dep-P Fr= 1--      0.4581                 0.2482                 0.4000
  Dep-U Fr= 1--      0.6283                 0.3977                 0.5715
 Alpha2 Fr= 1--      0.0629                 1.5797                 0.0035
 Beta2  Fr= 1--      1.1110                 8.7903                 0.0445
 AlphaG Fr= 1--      0.1579                 0.2238                 0.0321
 Gamma2 Fr= 1--      2.6189                 0.6822                 1.6445
 Delta2 Fr= 1--      3.1515                -1.5498                -0.3406
 Raman1 Fr= 1--      42.436                530.480                  1.867
 ROA1   Fr= 1--     352.266                 15.898                146.973
 CID1   Fr= 1--       8.301                  0.030                 78.730
 Raman2 Fr= 1--      13.332                105.484                  0.533
 ROA2   Fr= 1--      37.643                 28.771                 42.194
 CID2   Fr= 1--       2.823                  0.273                 79.102
 Raman3 Fr= 1--      26.665                210.968                  1.067
 ROA3   Fr= 1--     352.266                 15.898                146.973
 CID3   Fr= 1--      13.211                  0.075                137.769
 RC180  Fr= 1--       0.257                 -0.205                  0.143
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.09   0.03   0.02    -0.12  -0.04  -0.02
     2   6     0.00   0.00   0.00    -0.10  -0.04  -0.02    -0.14  -0.08  -0.03
     3   6     0.00  -0.00   0.00     0.06   0.04   0.01     0.06  -0.05  -0.00
     4   6     0.01   0.01  -0.00    -0.12   0.01  -0.01    -0.04   0.17   0.03
     5   6    -0.00  -0.00  -0.00     0.06  -0.09  -0.01     0.07  -0.14  -0.02
     6   6     0.00  -0.00   0.00     0.09   0.08   0.03     0.11   0.12   0.03
     7   6    -0.00  -0.00  -0.00    -0.10  -0.06  -0.02     0.12   0.10   0.03
     8   1    -0.05  -0.02  -0.01    -0.22  -0.06  -0.03    -0.16  -0.14  -0.04
     9   1     0.01  -0.01  -0.00    -0.36   0.23   0.00    -0.33   0.15  -0.01
    10   1    -0.00  -0.00  -0.00    -0.35  -0.09  -0.06    -0.39  -0.07  -0.06
    11   6    -0.02  -0.01   0.02     0.03  -0.00   0.01     0.02  -0.03  -0.00
    12   6    -0.03   0.00   0.04     0.00   0.00   0.00     0.00   0.00  -0.00
    13   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.01    -0.00   0.00  -0.01
    14   1     0.02   0.02  -0.02     0.02   0.01  -0.00    -0.13   0.04   0.01
    15   1    -0.13   0.36   0.08    -0.07  -0.02  -0.04    -0.00   0.03   0.00
    16   1     0.64   0.02  -0.20     0.01  -0.03   0.04     0.03   0.00  -0.01
    17   1     0.05  -0.39  -0.48     0.01   0.04  -0.07     0.01  -0.03  -0.01
    18   8     0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1    -0.00   0.00  -0.01     0.01   0.00   0.01    -0.00   0.01  -0.00
    21   6    -0.00   0.00   0.00    -0.05   0.08   0.01     0.04  -0.14  -0.02
    22   6    -0.00  -0.01  -0.00     0.16  -0.01   0.02    -0.06   0.18   0.03
    23   6    -0.00   0.00   0.00    -0.05  -0.04  -0.01     0.09  -0.04   0.00
    24   8     0.00   0.00   0.00    -0.05   0.02  -0.00     0.00  -0.03  -0.00
    25   6     0.00   0.00   0.00    -0.02   0.03   0.00     0.01  -0.01  -0.00
    26   1     0.01   0.00   0.00     0.34   0.10   0.06    -0.40  -0.10  -0.07
    27   1     0.00   0.00   0.00     0.30  -0.19   0.00    -0.28   0.10  -0.02
    28   1     0.01   0.01   0.00     0.21   0.05   0.04    -0.24  -0.18  -0.06
    29   1    -0.01   0.04   0.01     0.03  -0.26  -0.04     0.02  -0.04  -0.00
    30   1    -0.03  -0.04   0.02     0.15  -0.18   0.06     0.02   0.15  -0.06
    31   1    -0.02  -0.03  -0.04     0.16  -0.16  -0.08     0.00   0.12   0.11
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1616.9798              1653.3001              1672.5286
 Red. masses --      6.9561                 5.5336                 6.1136
 Frc consts  --     10.7158                 8.9117                10.0762
 IR Inten    --      2.5330               118.0767                58.5160
 RamAct Fr= 1--     41.8368                 2.4632               177.9950
  Dep-P Fr= 1--      0.2162                 0.5794                 0.4543
  Dep-U Fr= 1--      0.3555                 0.7337                 0.6247
 Alpha2 Fr= 1--      0.5441                 0.0079                 1.0725
 Beta2  Fr= 1--      2.4786                 0.3012                18.5332
 AlphaG Fr= 1--      0.5868                 0.0351                 0.4038
 Gamma2 Fr= 1--     -1.6669                 0.2047                -3.7511
 Delta2 Fr= 1--     -1.8736                -3.1927                 7.5271
 Raman1 Fr= 1--     167.347                  9.853                711.980
 ROA1   Fr= 1--    -219.975                -82.520               -119.241
 CID1   Fr= 1--      -1.314                 -8.375                 -0.167
 Raman2 Fr= 1--      29.744                  3.614                222.399
 ROA2   Fr= 1--     -25.016                 30.454               -150.244
 CID2   Fr= 1--      -0.841                  8.426                 -0.676
 Raman3 Fr= 1--      59.487                  7.229                444.797
 ROA3   Fr= 1--    -219.975                -82.520               -119.241
 CID3   Fr= 1--      -3.698                -11.416                 -0.268
 RC180  Fr= 1--      -0.289                  0.467                  0.249
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.28   0.04    -0.03   0.01  -0.00    -0.24  -0.06  -0.04
     2   6     0.07  -0.28  -0.04    -0.01   0.01   0.00     0.23   0.05   0.04
     3   6    -0.11  -0.17  -0.04     0.20   0.12   0.05     0.20   0.08   0.04
     4   6     0.04   0.21   0.05    -0.19  -0.11  -0.04    -0.13  -0.06  -0.03
     5   6     0.17  -0.14  -0.01     0.22  -0.05   0.02     0.18  -0.04   0.01
     6   6    -0.13   0.09   0.00    -0.21  -0.01  -0.03    -0.23  -0.04  -0.04
     7   6     0.12  -0.10  -0.00    -0.22  -0.01  -0.03     0.25   0.05   0.04
     8   1     0.35   0.01   0.04    -0.33  -0.07  -0.05    -0.31  -0.10  -0.05
     9   1    -0.17   0.14   0.00    -0.20   0.29   0.03    -0.12   0.20   0.02
    10   1     0.10   0.19   0.05     0.16   0.15   0.05     0.25   0.16   0.06
    11   6    -0.00  -0.02  -0.00     0.03   0.01   0.01     0.01   0.01   0.01
    12   6     0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00
    14   1    -0.14   0.03   0.01     0.10  -0.01  -0.01     0.07  -0.01  -0.01
    15   1     0.01   0.00  -0.00    -0.02  -0.00  -0.00    -0.01   0.00  -0.00
    16   1    -0.04   0.01  -0.00     0.01  -0.01   0.00     0.02  -0.00  -0.00
    17   1     0.00   0.00   0.03     0.00   0.03  -0.03     0.00   0.01  -0.02
    18   8    -0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    20   1    -0.01  -0.00  -0.01     0.01   0.00   0.02     0.01   0.01   0.03
    21   6    -0.18   0.17   0.01     0.23  -0.04   0.02    -0.20   0.04  -0.02
    22   6    -0.05  -0.27  -0.05    -0.19  -0.11  -0.04     0.13   0.07   0.03
    23   6     0.10   0.19   0.05     0.18   0.11   0.04    -0.20  -0.08  -0.04
    24   8     0.03   0.01   0.01     0.03   0.01   0.01    -0.01  -0.01  -0.00
    25   6    -0.01   0.00  -0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    26   1    -0.05  -0.18  -0.04     0.16   0.16   0.05    -0.28  -0.17  -0.06
    27   1     0.18  -0.13  -0.00    -0.17   0.29   0.03     0.09  -0.21  -0.03
    28   1    -0.35   0.03  -0.04    -0.30  -0.05  -0.05     0.29   0.10   0.05
    29   1    -0.03   0.05   0.01    -0.01   0.10   0.02     0.00  -0.05  -0.01
    30   1     0.01  -0.01  -0.00    -0.05   0.05  -0.03     0.02  -0.05   0.02
    31   1     0.01  -0.01   0.00    -0.05   0.05   0.03     0.03  -0.04  -0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1834.0161              3011.4000              3045.9794
 Red. masses --     10.0676                 1.0345                 1.0361
 Frc consts  --     19.9518                 5.5273                 5.6636
 IR Inten    --    481.7374                47.0011                12.7207
 RamAct Fr= 1--     15.3316               193.6685               183.5876
  Dep-P Fr= 1--      0.2819                 0.0482                 0.0158
  Dep-U Fr= 1--      0.4398                 0.0920                 0.0312
 Alpha2 Fr= 1--      0.1659                 3.8417                 3.9314
 Beta2  Fr= 1--      1.1238                 2.9705                 0.9537
 AlphaG Fr= 1--      0.3332                -0.4302                 0.4974
 Gamma2 Fr= 1--      0.9668                -1.1302                 1.8039
 Delta2 Fr= 1--      0.5011                 1.0224                 0.7461
 Raman1 Fr= 1--      61.326                774.674                734.351
 ROA1   Fr= 1--     108.847                -75.780                197.053
 CID1   Fr= 1--       1.775                 -0.098                  0.268
 Raman2 Fr= 1--      13.485                 35.646                 11.444
 ROA2   Fr= 1--      19.194                -35.304                 37.325
 CID2   Fr= 1--       1.423                 -0.990                  3.262
 Raman3 Fr= 1--      26.970                 71.293                 22.888
 ROA3   Fr= 1--     108.847                -75.780                197.053
 CID3   Fr= 1--       4.036                 -1.063                  8.610
 RC180  Fr= 1--      -0.120                 -0.816                 -0.938
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.02  -0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.01  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.02   0.00
     9   1    -0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   1     0.01   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.04  -0.01   0.02     0.00   0.00   0.00    -0.00  -0.01  -0.01
    12   6     0.01  -0.01   0.00     0.00  -0.00   0.00    -0.00   0.05  -0.01
    13   6     0.69   0.22  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1     0.13   0.06  -0.11    -0.00  -0.00  -0.00     0.04   0.08   0.08
    15   1    -0.06   0.06  -0.01     0.00   0.00  -0.00    -0.25  -0.15   0.50
    16   1     0.00   0.00  -0.02     0.00   0.00   0.00    -0.15  -0.45  -0.47
    17   1     0.02   0.04  -0.05    -0.00  -0.00  -0.00     0.44   0.02   0.06
    18   8    -0.44  -0.14   0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.05  -0.01   0.03    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.08  -0.00  -0.45     0.00   0.00   0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    23   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    24   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00  -0.05  -0.01    -0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.00   0.00  -0.00     0.01  -0.02  -0.00     0.00  -0.00  -0.00
    29   1    -0.00   0.00   0.00    -0.29  -0.05  -0.05    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.10   0.24   0.63     0.00   0.00   0.00
    31   1    -0.00  -0.00  -0.00     0.23   0.43  -0.47     0.00   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.4980              3068.0720              3109.7275
 Red. masses --      1.0831                 1.1058                 1.1017
 Frc consts  --      5.9929                 6.1328                 6.2771
 IR Inten    --      5.5271                32.6950                18.8235
 RamAct Fr= 1--     74.0157                42.9734                48.4516
  Dep-P Fr= 1--      0.3136                 0.7500                 0.3699
  Dep-U Fr= 1--      0.4774                 0.8571                 0.5400
 Alpha2 Fr= 1--      0.7287                 0.0000                 0.3984
 Beta2  Fr= 1--      5.8895                 6.1389                 4.3607
 AlphaG Fr= 1--      1.5789                -0.0324                -1.1708
 Gamma2 Fr= 1--     -1.3158                -2.2965                 2.4449
 Delta2 Fr= 1--      0.5103                -2.0134                 0.9773
 Raman1 Fr= 1--     296.063                171.894                193.806
 ROA1   Fr= 1--    -109.986               -284.896                265.987
 CID1   Fr= 1--      -0.371                 -1.657                  1.372
 Raman2 Fr= 1--      70.674                 73.666                 52.328
 ROA2   Fr= 1--     -35.661                -39.010                 50.860
 CID2   Fr= 1--      -0.505                 -0.530                  0.972
 Raman3 Fr= 1--     141.347                147.333                104.656
 ROA3   Fr= 1--    -109.986               -284.896                265.987
 CID3   Fr= 1--      -0.778                 -1.934                  2.542
 RC180  Fr= 1--      -0.045                  0.714                  0.080
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.00   0.01   0.00     0.00   0.00  -0.00     0.02  -0.04  -0.00
     9   1    -0.02  -0.02  -0.01     0.00   0.00  -0.00    -0.01  -0.01  -0.00
    10   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.03  -0.05  -0.06    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    12   6     0.01  -0.00   0.02    -0.00   0.00   0.00    -0.00  -0.03  -0.09
    13   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.32   0.63   0.66     0.00   0.00   0.00     0.06   0.13   0.13
    15   1     0.08   0.05  -0.15     0.00   0.00  -0.00    -0.29  -0.18   0.55
    16   1    -0.02  -0.04  -0.04    -0.00  -0.00  -0.00     0.16   0.49   0.48
    17   1    -0.14  -0.00  -0.01     0.00   0.00   0.00     0.19  -0.00   0.00
    18   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    19   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    20   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00  -0.00     0.01   0.02  -0.09    -0.00  -0.00  -0.00
    26   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    29   1    -0.00  -0.00  -0.00     0.00   0.00  -0.02     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.12   0.26   0.64     0.00   0.00   0.00
    31   1     0.00   0.00  -0.00    -0.26  -0.46   0.47     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3127.4157              3140.3598              3163.1443
 Red. masses --      1.1022                 1.0993                 1.0864
 Frc consts  --      6.3516                 6.3876                 6.4042
 IR Inten    --     14.8150                22.9133                 3.8318
 RamAct Fr= 1--    119.9717               179.0367                58.9022
  Dep-P Fr= 1--      0.5479                 0.4023                 0.6940
  Dep-U Fr= 1--      0.7079                 0.5738                 0.8193
 Alpha2 Fr= 1--      0.4641                 1.3153                 0.0577
 Beta2  Fr= 1--     14.1554                17.1214                 8.0435
 AlphaG Fr= 1--      0.3421                 0.1715                -0.0095
 Gamma2 Fr= 1--     -4.1070                 0.8539                 0.0576
 Delta2 Fr= 1--      2.9732                 0.6427                 2.0110
 Raman1 Fr= 1--     479.887                716.147                235.609
 ROA1   Fr= 1--    -299.126                102.545                 69.882
 CID1   Fr= 1--      -0.623                  0.143                  0.297
 Raman2 Fr= 1--     169.865                205.457                 96.522
 ROA2   Fr= 1--    -122.353                 15.353                -14.706
 CID2   Fr= 1--      -0.720                  0.075                 -0.152
 Raman3 Fr= 1--     339.729                410.913                193.044
 ROA3   Fr= 1--    -299.126                102.545                 69.882
 CID3   Fr= 1--      -0.880                  0.250                  0.362
 RC180  Fr= 1--       0.416                  0.148                  0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.04   0.05   0.01
     6   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.05  -0.01
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1     0.01  -0.02  -0.00     0.00  -0.00  -0.00    -0.01   0.03   0.00
     9   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.45  -0.58  -0.16
    10   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.25   0.61   0.08
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    12   6    -0.09  -0.02   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    13   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    14   1     0.02   0.03   0.03    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    15   1     0.18   0.12  -0.40    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.02   0.12   0.13    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1     0.86   0.02   0.11    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   8     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    20   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    25   6    -0.00  -0.00  -0.00    -0.09  -0.03  -0.02     0.00   0.00   0.00
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1     0.00  -0.00  -0.00     0.01  -0.03  -0.00     0.01  -0.02  -0.00
    29   1     0.00   0.00   0.00     0.93   0.16   0.15    -0.00  -0.00  -0.00
    30   1     0.00   0.00   0.00     0.02   0.06   0.18    -0.00  -0.00  -0.00
    31   1     0.00   0.00  -0.00     0.06   0.12  -0.14    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3172.0586              3178.0321              3180.5109
 Red. masses --      1.0884                 1.0890                 1.0944
 Frc consts  --      6.4527                 6.4802                 6.5228
 IR Inten    --      2.8355                13.9795                 8.3039
 RamAct Fr= 1--     35.0710                54.5902               187.0662
  Dep-P Fr= 1--      0.6056                 0.5485                 0.1566
  Dep-U Fr= 1--      0.7543                 0.7084                 0.2708
 Alpha2 Fr= 1--      0.0935                 0.2105                 2.8439
 Beta2  Fr= 1--      4.4092                 6.4452                 8.4418
 AlphaG Fr= 1--      0.0253                 0.0622                 0.0500
 Gamma2 Fr= 1--     -0.1869                 1.9949                -2.2505
 Delta2 Fr= 1--     -0.8730                 1.3291                -2.9716
 Raman1 Fr= 1--     140.284                218.361                748.265
 ROA1   Fr= 1--     -45.875                234.038               -311.137
 CID1   Fr= 1--      -0.327                  1.072                 -0.416
 Raman2 Fr= 1--      52.910                 77.342                101.301
 ROA2   Fr= 1--       2.500                 37.245                -30.238
 CID2   Fr= 1--       0.047                  0.482                 -0.299
 Raman3 Fr= 1--     105.820                154.685                202.602
 ROA3   Fr= 1--     -45.875                234.038               -311.137
 CID3   Fr= 1--      -0.434                  1.513                 -1.536
 RC180  Fr= 1--       0.509                  0.417                 -0.458
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6    -0.01   0.02   0.00     0.03  -0.07  -0.01    -0.01   0.02   0.00
     4   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.01  -0.01  -0.00    -0.04  -0.04  -0.01
     6   6    -0.00   0.00   0.00     0.01  -0.02  -0.00     0.03  -0.06  -0.01
     7   6     0.03  -0.07  -0.01     0.01  -0.02  -0.00    -0.00   0.00   0.00
     8   1     0.10  -0.26  -0.03    -0.34   0.84   0.10     0.10  -0.25  -0.03
     9   1    -0.01  -0.01  -0.00     0.12   0.16   0.04     0.38   0.48   0.13
    10   1     0.00  -0.01  -0.00    -0.07   0.17   0.02    -0.28   0.66   0.09
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    16   1    -0.00  -0.01  -0.01     0.01   0.04   0.04    -0.00  -0.01  -0.01
    17   1    -0.01  -0.00  -0.00     0.02   0.00   0.00    -0.00  -0.00   0.00
    18   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    19   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    21   6     0.01   0.02   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    22   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.35   0.84   0.11    -0.09   0.23   0.03     0.02  -0.05  -0.01
    27   1    -0.18  -0.22  -0.06    -0.06  -0.08  -0.02     0.02   0.02   0.01
    28   1    -0.01   0.02   0.00    -0.00   0.00   0.00     0.02  -0.05  -0.01
    29   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3200.0248              3206.0308              3680.6668
 Red. masses --      1.0937                 1.0893                 1.0651
 Frc consts  --      6.5988                 6.5969                 8.5016
 IR Inten    --      4.9722                 8.5404               203.7447
 RamAct Fr= 1--    194.6409                83.7388               152.8187
  Dep-P Fr= 1--      0.2143                 0.2580                 0.2651
  Dep-U Fr= 1--      0.3530                 0.4102                 0.4191
 Alpha2 Fr= 1--      2.5440                 0.9703                 1.7354
 Beta2  Fr= 1--     11.4516                 5.7250                10.6754
 AlphaG Fr= 1--      0.2776                -0.0978                 2.7144
 Gamma2 Fr= 1--      2.1150                -0.9965                30.3970
 Delta2 Fr= 1--      0.8730                 0.0220                 2.7828
 Raman1 Fr= 1--     778.564                334.955                611.275
 ROA1   Fr= 1--     230.976                -94.958               3007.163
 CID1   Fr= 1--       0.297                 -0.283                  4.919
 Raman2 Fr= 1--     137.419                 68.700                128.104
 ROA2   Fr= 1--      43.777                -24.091                707.267
 CID2   Fr= 1--       0.319                 -0.351                  5.521
 Raman3 Fr= 1--     274.838                137.400                256.209
 ROA3   Fr= 1--     230.976                -94.958               3007.163
 CID3   Fr= 1--       0.840                 -0.691                 11.737
 RC180  Fr= 1--      -0.294                 -0.180                 -0.162
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     7   6     0.01  -0.02  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     8   1    -0.01   0.02   0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
     9   1    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    10   1     0.00  -0.00  -0.00    -0.02   0.05   0.01     0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.06  -0.02   0.01
    20   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.95   0.25  -0.18
    21   6    -0.05  -0.06  -0.02    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   6     0.00   0.00   0.00     0.03  -0.08  -0.01     0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    25   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.12   0.28   0.03     0.01  -0.02  -0.00    -0.00   0.00   0.00
    27   1     0.58   0.72   0.20     0.01   0.01   0.00     0.00   0.00   0.00
    28   1     0.00  -0.01  -0.00    -0.37   0.91   0.12     0.00  -0.00  -0.00
    29   1    -0.00  -0.00  -0.00     0.02   0.01   0.00     0.00   0.00   0.00
    30   1    -0.00   0.00   0.00     0.00   0.01   0.02    -0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.01   0.01  -0.02    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1309.984398649.942099137.78575
           X            0.99985  -0.01540   0.00853
           Y            0.01536   0.99987   0.00518
           Z           -0.00860  -0.00505   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06612     0.01001     0.00948
 Rotational constants (GHZ):           1.37768     0.20864     0.19750
 Zero-point vibrational energy     658875.7 (Joules/Mol)
                                  157.47507 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     32.48    57.59    62.47   134.72   186.70
          (Kelvin)            200.96   267.20   288.93   318.38   350.30
                              373.84   407.74   470.71   512.51   561.64
                              594.33   622.74   700.35   709.02   758.95
                              772.49   824.00   861.01   899.87   933.66
                              988.48  1028.11  1080.36  1109.38  1130.73
                             1173.24  1192.11  1205.02  1246.82  1271.32
                             1327.29  1365.89  1387.93  1397.39  1411.77
                             1458.65  1527.51  1552.19  1570.09  1654.46
                             1689.27  1700.00  1713.51  1721.26  1724.41
                             1758.50  1801.16  1866.99  1873.33  1877.69
                             1910.74  1931.44  1993.76  2024.87  2032.58
                             2053.41  2092.13  2124.80  2148.77  2155.23
                             2166.89  2173.06  2194.70  2222.11  2326.47
                             2378.73  2406.40  2638.74  4332.73  4382.48
                             4409.13  4414.27  4474.20  4499.65  4518.28
                             4551.06  4563.88  4572.48  4576.05  4604.12
                             4612.76  5295.66
 
 Zero-point correction=                           0.250952 (Hartree/Particle)
 Thermal correction to Energy=                    0.266094
 Thermal correction to Enthalpy=                  0.267038
 Thermal correction to Gibbs Free Energy=         0.207305
 Sum of electronic and zero-point Energies=           -767.721412
 Sum of electronic and thermal Energies=              -767.706270
 Sum of electronic and thermal Enthalpies=            -767.705326
 Sum of electronic and thermal Free Energies=         -767.765059
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.976             58.474            125.719
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.004
 Vibrational            165.199             52.512             50.513
 Vibration     1          0.593              1.985              6.394
 Vibration     2          0.594              1.981              5.258
 Vibration     3          0.595              1.980              5.097
 Vibration     4          0.603              1.954              3.583
 Vibration     5          0.612              1.924              2.950
 Vibration     6          0.615              1.914              2.808
 Vibration     7          0.632              1.859              2.270
 Vibration     8          0.638              1.839              2.126
 Vibration     9          0.648              1.809              1.949
 Vibration    10          0.659              1.774              1.777
 Vibration    11          0.668              1.746              1.663
 Vibration    12          0.682              1.704              1.513
 Vibration    13          0.711              1.621              1.274
 Vibration    14          0.732              1.562              1.139
 Vibration    15          0.758              1.491              0.999
 Vibration    16          0.777              1.442              0.916
 Vibration    17          0.794              1.399              0.849
 Vibration    18          0.843              1.279              0.692
 Vibration    19          0.848              1.266              0.676
 Vibration    20          0.882              1.189              0.593
 Vibration    21          0.892              1.168              0.572
 Vibration    22          0.929              1.090              0.499
 Vibration    23          0.956              1.035              0.452
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.442994D-95        -95.353602       -219.559783
 Total V=0       0.119242D+21         20.076429         46.227685
 Vib (Bot)       0.886501-110       -110.052321       -253.404833
 Vib (Bot)    1  0.917503D+01          0.962608          2.216486
 Vib (Bot)    2  0.516911D+01          0.713416          1.642701
 Vib (Bot)    3  0.476370D+01          0.677944          1.561024
 Vib (Bot)    4  0.219433D+01          0.341303          0.785879
 Vib (Bot)    5  0.157113D+01          0.196213          0.451797
 Vib (Bot)    6  0.145595D+01          0.163146          0.375657
 Vib (Bot)    7  0.107934D+01          0.033160          0.076354
 Vib (Bot)    8  0.992602D+00         -0.003225         -0.007426
 Vib (Bot)    9  0.893387D+00         -0.048960         -0.112735
 Vib (Bot)   10  0.804081D+00         -0.094700         -0.218056
 Vib (Bot)   11  0.747583D+00         -0.126340         -0.290910
 Vib (Bot)   12  0.677198D+00         -0.169284         -0.389792
 Vib (Bot)   13  0.572107D+00         -0.242523         -0.558429
 Vib (Bot)   14  0.515841D+00         -0.287484         -0.661957
 Vib (Bot)   15  0.459794D+00         -0.337436         -0.776976
 Vib (Bot)   16  0.427307D+00         -0.369260         -0.850253
 Vib (Bot)   17  0.401675D+00         -0.396125         -0.912111
 Vib (Bot)   18  0.341585D+00         -0.466501         -1.074158
 Vib (Bot)   19  0.335639D+00         -0.474128         -1.091719
 Vib (Bot)   20  0.303890D+00         -0.517284         -1.191089
 Vib (Bot)   21  0.295952D+00         -0.528778         -1.217557
 Vib (Bot)   22  0.268013D+00         -0.571844         -1.316720
 Vib (Bot)   23  0.249920D+00         -0.602199         -1.386615
 Vib (V=0)       0.238622D+06          5.377710         12.382635
 Vib (V=0)    1  0.968864D+01          0.986263          2.270955
 Vib (V=0)    2  0.569324D+01          0.755360          1.739280
 Vib (V=0)    3  0.528987D+01          0.723445          1.665793
 Vib (V=0)    4  0.275058D+01          0.439424          1.011811
 Vib (V=0)    5  0.214877D+01          0.332191          0.764898
 Vib (V=0)    6  0.203941D+01          0.309505          0.712661
 Vib (V=0)    7  0.168953D+01          0.227766          0.524451
 Vib (V=0)    8  0.161142D+01          0.207209          0.477117
 Vib (V=0)    9  0.152379D+01          0.182924          0.421199
 Vib (V=0)   10  0.144686D+01          0.160427          0.369396
 Vib (V=0)   11  0.139938D+01          0.145935          0.336028
 Vib (V=0)   12  0.134178D+01          0.127682          0.293999
 Vib (V=0)   13  0.125981D+01          0.100304          0.230958
 Vib (V=0)   14  0.121840D+01          0.085788          0.197535
 Vib (V=0)   15  0.117927D+01          0.071614          0.164898
 Vib (V=0)   16  0.115772D+01          0.063602          0.146450
 Vib (V=0)   17  0.114136D+01          0.057423          0.132221
 Vib (V=0)   18  0.110554D+01          0.043575          0.100335
 Vib (V=0)   19  0.110221D+01          0.042263          0.097315
 Vib (V=0)   20  0.108511D+01          0.035472          0.081678
 Vib (V=0)   21  0.108102D+01          0.033835          0.077908
 Vib (V=0)   22  0.106730D+01          0.028287          0.065134
 Vib (V=0)   23  0.105898D+01          0.024888          0.057307
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.364255D+07          6.561406         15.108195
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3          333333333333 3                              111111111111111111111111111111111                                        
     6          221111111000 0                              866655554444444333332221111110000999998888877776665555444433322222111    
     8          008776421664 1                              3751421099752108420095299987597618764286321875184297329831952864208439442
     1          601823070846 1                              4337450683747376285282296124019241159347895611579583773733067303116004303
 
     X          XXXXXXXXXXXX X                              XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                       X                              XXX  X X    X    X  XX         X                  X                      
     X                                                      X X         X    X  XX                                                   
     X                                                      X X              X  XX                                                   
     X                                                      X X              X   X                                                   
     X                                                      X                X   X                                                   
     X                                                      X                X                                                       
     X                                                      X                X                                                       
                                                            X                X                                                       
                                                            X                X                                                       
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002867   -0.000006315   -0.000001209
      2        6          -0.000006112   -0.000001457   -0.000000489
      3        6           0.000005874    0.000006898    0.000001326
      4        6          -0.000000732    0.000001262   -0.000005608
      5        6          -0.000006101    0.000002031    0.000001535
      6        6           0.000003535    0.000004410   -0.000000001
      7        6           0.000006092    0.000001068    0.000000378
      8        1          -0.000003108   -0.000002557    0.000002096
      9        1           0.000001599   -0.000000717   -0.000001173
     10        1          -0.000001642   -0.000000940    0.000000655
     11        6           0.000008422   -0.000026061    0.000009020
     12        6          -0.000004952    0.000002803    0.000007718
     13        6          -0.000041618    0.000012249   -0.000038722
     14        1           0.000003857    0.000003827   -0.000005627
     15        1           0.000000182    0.000001531   -0.000002109
     16        1           0.000002765   -0.000000756    0.000000678
     17        1           0.000000837   -0.000002417   -0.000001283
     18        8           0.000018754    0.000002386    0.000002603
     19        8           0.000012064   -0.000000743    0.000031929
     20        1           0.000006529    0.000002776   -0.000004250
     21        6          -0.000005283    0.000004156    0.000000104
     22        6          -0.000000507   -0.000003531   -0.000000955
     23        6          -0.000000324    0.000000544    0.000000174
     24        8          -0.000004159    0.000006236    0.000002577
     25        6           0.000012160   -0.000012231   -0.000001075
     26        1          -0.000001735   -0.000000332   -0.000000029
     27        1          -0.000000255   -0.000001144   -0.000000213
     28        1          -0.000003633    0.000002337    0.000000139
     29        1           0.000000205    0.000000261    0.000000440
     30        1          -0.000000161    0.000001824    0.000001717
     31        1           0.000000315    0.000002602   -0.000000345
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000041618 RMS     0.000008548
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.290887D+03  0.795368D+01  0.152488D+02
      2   0.795368D+01  0.171705D+03  0.845508D+01
      3   0.152488D+02  0.845508D+01  0.118075D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.140133D+01 -0.291366D+02 -0.159116D+01
      2   0.629710D+02  0.191699D+02 -0.148189D+02
      3   0.388495D+02 -0.551119D+02 -0.166016D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.262658D+03 -0.524423D+02  0.660618D+02
      2  -0.111621D+03  0.538832D+02 -0.168512D+02
      3  -0.151037D+03 -0.144090D+01 -0.492106D+02
      4  -0.455446D+02  0.116379D+03  0.481810D+02
      5  -0.214993D+01  0.511664D+02 -0.384590D+02
      6   0.193581D+02 -0.518691D+02 -0.130837D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.343501D+02 -0.338655D+01 -0.325188D+01  0.420412D+02  0.899989D+01
      2  -0.338655D+01 -0.106791D+01 -0.950793D+00  0.899989D+01  0.950735D+01
      3  -0.325188D+01 -0.950793D+00 -0.127393D+00  0.592586D+01  0.239574D+01
                 6             7             8             9            10 
      1   0.592586D+01  0.422628D+01  0.126814D+01 -0.262123D+00  0.388011D+02
      2   0.239574D+01  0.126814D+01  0.119002D+01  0.142760D+01  0.383132D+01
      3   0.633849D+00 -0.262123D+00  0.142760D+01  0.475783D+00  0.369213D+01
                11            12            13            14            15 
      1   0.383132D+01  0.369213D+01 -0.422512D+02 -0.859288D+01 -0.600642D+01
      2   0.438194D+01  0.986298D+00 -0.859288D+01 -0.808404D+01 -0.251076D+01
      3   0.986298D+00  0.947397D-01 -0.600642D+01 -0.251076D+01 -0.689285D+00
                16            17            18            19            20 
      1  -0.297246D+01 -0.115716D+01  0.737782D+00  0.361261D+02  0.531438D+01
      2  -0.115716D+01 -0.564592D+00 -0.122375D+01  0.531438D+01  0.425944D+01
      3   0.737782D+00 -0.122375D+01 -0.423245D+00  0.336790D+01  0.102478D+01
                21            22            23            24            25 
      1   0.336790D+01  0.190643D+02  0.212199D+01  0.717472D+00  0.845209D+01
      2   0.102478D+01  0.212199D+01  0.429073D+01  0.311750D+00  0.213740D+00
      3   0.426766D+00  0.717472D+00  0.311750D+00  0.215882D+01 -0.704194D+00
                26            27            28            29            30 
      1   0.213740D+00 -0.704194D+00 -0.423840D+02 -0.455365D+01 -0.117078D+01
      2   0.852916D-01  0.332589D+01 -0.455365D+01 -0.268740D+01 -0.297172D+00
      3   0.332589D+01  0.906961D+00 -0.117078D+01 -0.297172D+00 -0.205418D+01
                31            32            33            34            35 
      1  -0.112302D+02 -0.596321D+00  0.225690D+00 -0.562350D+01  0.491167D+00
      2  -0.596321D+00 -0.854893D+01 -0.224727D+01  0.491167D+00 -0.220299D+01
      3   0.225690D+00 -0.224727D+01 -0.685134D+00 -0.562967D+01 -0.128949D+01
                36            37            38            39            40 
      1  -0.562967D+01 -0.815202D+01  0.173315D+00 -0.277793D+00 -0.572501D+01
      2  -0.128949D+01  0.173315D+00 -0.842664D+01 -0.138816D+01 -0.191923D+01
      3  -0.153381D+01 -0.277793D+00 -0.138816D+01 -0.213912D+01  0.556523D+00
                41            42            43            44            45 
      1  -0.191923D+01  0.556523D+00 -0.119652D+01  0.992578D+00 -0.404311D+01
      2   0.332344D+01  0.143355D+01  0.992578D+00  0.313595D+00 -0.228153D+01
      3   0.143355D+01 -0.498471D+00 -0.404311D+01 -0.228153D+01 -0.283752D+01
                46            47            48            49            50 
      1   0.124756D+02  0.186784D+01  0.173101D+01  0.114687D+00 -0.688971D+00
      2   0.186784D+01  0.590935D+01  0.207364D+01 -0.688971D+00  0.106012D+00
      3   0.173101D+01  0.207364D+01  0.239399D+01 -0.114438D+00  0.961880D+00
                51            52            53            54            55 
      1  -0.114438D+00  0.144884D+01  0.397011D+00  0.164125D+01 -0.132456D+02
      2   0.961880D+00  0.397011D+00  0.220541D+01 -0.311174D+01 -0.317883D+01
      3  -0.113479D+01  0.164125D+01 -0.311174D+01 -0.105062D+01 -0.185570D+01
                56            57            58            59            60 
      1  -0.317883D+01 -0.185570D+01 -0.219170D+01  0.443727D+00 -0.254261D+00
      2  -0.895116D+01 -0.176645D+01  0.443727D+00 -0.984868D+00 -0.918872D+00
      3  -0.176645D+01 -0.218544D+01 -0.254261D+00 -0.918872D+00  0.127353D+01
                61            62            63            64            65 
      1  -0.182951D+01 -0.468253D+00 -0.161716D+01 -0.180475D+01  0.227040D+01
      2  -0.468253D+00 -0.263110D+01  0.301549D+01  0.227040D+01 -0.124962D+01
      3  -0.161716D+01  0.301549D+01  0.669246D+00 -0.999916D-02  0.164786D+00
                66            67            68            69            70 
      1  -0.999916D-02  0.311528D+01 -0.297117D+01 -0.672654D-01 -0.145999D+00
      2   0.164786D+00 -0.297117D+01  0.601324D+01  0.239220D+00 -0.107698D+00
      3  -0.135166D+00 -0.672654D-01  0.239220D+00  0.771607D+00 -0.127011D-01
                71            72            73            74            75 
      1  -0.107698D+00 -0.127011D-01 -0.516506D+01 -0.300451D+01 -0.115132D+01
      2   0.757331D+00  0.231369D+00 -0.300451D+01 -0.305871D+01 -0.880542D+00
      3   0.231369D+00  0.648241D-01 -0.115132D+01 -0.880542D+00 -0.765974D+00
                76            77            78            79            80 
      1  -0.326207D+01 -0.413060D+01 -0.118340D+01 -0.153404D+01 -0.122047D+01
      2  -0.413060D+01 -0.613155D+01 -0.156171D+01 -0.122047D+01 -0.138349D+01
      3  -0.118340D+01 -0.156171D+01 -0.120119D+01 -0.963861D-02 -0.700756D+00
                81            82            83            84            85 
      1  -0.963861D-02  0.152497D+01 -0.184640D+01 -0.222634D+00 -0.906925D+00
      2  -0.700756D+00 -0.184640D+01  0.265625D+01  0.326312D+00  0.203578D+01
      3  -0.371699D+00 -0.222634D+00  0.326312D+00  0.345102D+00  0.422575D+00
                86            87            88            89            90 
      1   0.203578D+01  0.422575D+00 -0.198919D-01  0.168322D+00  0.162548D-01
      2  -0.945921D+01 -0.141267D+01  0.168322D+00 -0.140355D+01 -0.566810D+00
      3  -0.141267D+01 -0.112640D+01  0.162548D-01 -0.566810D+00 -0.303185D+00
                91            92            93            94            95 
      1   0.182256D+02  0.321652D+01 -0.179647D+01  0.251229D+01  0.284003D+01
      2   0.321652D+01  0.167910D+01 -0.767331D+00  0.284003D+01 -0.126825D+01
      3  -0.179647D+01 -0.767331D+00  0.298441D+01 -0.372320D+00  0.312283D+01
                96            97            98            99           100 
      1  -0.372320D+00 -0.621145D+01 -0.130723D+01  0.562930D+01  0.756174D+01
      2   0.312283D+01 -0.130723D+01  0.189002D+01  0.215405D+01 -0.585939D+00
      3   0.127179D+01  0.562930D+01  0.215405D+01 -0.289045D+00  0.178887D+01
               101           102           103           104           105 
      1  -0.585939D+00  0.178887D+01  0.249955D+01 -0.251834D+01  0.108487D+01
      2  -0.212382D+01  0.124711D+01 -0.251834D+01  0.138925D+01 -0.299379D+01
      3   0.124711D+01 -0.316766D+01  0.108487D+01 -0.299379D+01 -0.186281D+01
               106           107           108           109           110 
      1   0.191118D+01  0.115264D+01 -0.216733D+01  0.286020D+01  0.155043D+01
      2   0.115264D+01 -0.201522D+01 -0.300240D+01  0.155043D+01  0.737244D+00
      3  -0.216733D+01 -0.300240D+01  0.273902D+01  0.334028D+00 -0.335445D+00
               111           112           113           114           115 
      1   0.334028D+00  0.109409D+01 -0.619483D+00  0.288194D+00  0.107368D+02
      2  -0.335445D+00 -0.619483D+00  0.107726D+00 -0.110072D+00  0.114473D+01
      3  -0.704758D+00  0.288194D+00 -0.110072D+00 -0.582108D+00 -0.472144D+01
               116           117           118           119           120 
      1   0.114473D+01 -0.472144D+01 -0.258515D+01 -0.166446D+01 -0.139594D+01
      2   0.501583D+00 -0.559794D+00 -0.166446D+01 -0.966468D+00 -0.385511D+00
      3  -0.559794D+00  0.518228D+00 -0.139594D+01 -0.385511D+00 -0.152164D+01
               121           122           123           124           125 
      1  -0.503670D+01 -0.182809D+01 -0.991595D+00 -0.223521D+01 -0.512118D+00
      2  -0.182809D+01 -0.265744D+01 -0.205693D+01 -0.512118D+00 -0.194938D+01
      3  -0.991595D+00 -0.205693D+01 -0.199402D+01 -0.247096D+01 -0.188265D+01
               126           127           128           129           130 
      1  -0.247096D+01  0.725207D+00  0.312146D+00 -0.126301D+01 -0.168067D+00
      2  -0.188265D+01  0.312146D+00  0.112071D+01 -0.991195D+00  0.297631D+00
      3  -0.377184D+01 -0.126301D+01 -0.991195D+00  0.227061D+01 -0.143065D+00
               131           132           133           134           135 
      1   0.297631D+00 -0.143065D+00 -0.175737D+01  0.228740D+00  0.318999D+00
      2   0.147962D+01 -0.131710D+01  0.228740D+00 -0.198128D+01  0.278008D+01
      3  -0.131710D+01  0.182527D+01  0.318999D+00  0.278008D+01 -0.697914D+01
               136           137           138           139           140 
      1  -0.211490D+00  0.563168D+00  0.509531D+00  0.118578D+01 -0.514683D+00
      2   0.563168D+00  0.591995D+00 -0.888560D-01 -0.514683D+00  0.423884D+01
      3   0.509531D+00 -0.888560D-01  0.609655D+00 -0.144459D+00  0.165674D+01
               141           142           143           144           145 
      1  -0.144459D+00  0.148705D+01 -0.838698D+00  0.195663D+00 -0.127009D+02
      2   0.165674D+01 -0.838698D+00  0.283087D+01  0.168365D+01  0.241179D+01
      3   0.164426D+01  0.195663D+00  0.168365D+01  0.215440D+01 -0.220251D+01
               146           147           148           149           150 
      1   0.241179D+01 -0.220251D+01  0.848564D+00 -0.115301D+01 -0.700278D-03
      2  -0.152545D+01  0.556722D+00 -0.115301D+01  0.164781D+00  0.323731D-01
      3   0.556722D+00 -0.141994D+01 -0.700278D-03  0.323731D-01  0.573993D-01
               151           152           153           154           155 
      1  -0.146556D+01  0.167762D+00 -0.141746D+01 -0.176850D+02 -0.352904D+01
      2   0.167762D+00  0.754431D-01  0.551748D+00 -0.352904D+01 -0.262010D+01
      3  -0.141746D+01  0.551748D+00 -0.977445D+00  0.101621D+01  0.722522D+00
               156           157           158           159           160 
      1   0.101621D+01 -0.438228D+01 -0.443917D+01  0.205048D+00  0.184121D+01
      2   0.722522D+00 -0.443917D+01 -0.289426D+01  0.453072D+00  0.538984D+00
      3  -0.287533D+01  0.205048D+00  0.453072D+00 -0.571983D+00 -0.283954D+01
               161           162           163           164           165 
      1   0.538984D+00 -0.283954D+01 -0.108153D+02 -0.143478D+01  0.424864D+01
      2  -0.126530D+00 -0.877714D+00 -0.143478D+01  0.268187D+00  0.477506D-01
      3  -0.877714D+00  0.382789D+00  0.424864D+01  0.477506D-01 -0.102445D+01
               166           167           168           169           170 
      1  -0.304844D+01  0.169776D+00  0.653363D+00  0.136160D+01 -0.340682D+00
      2   0.169776D+00  0.310239D+00  0.123069D+01 -0.340682D+00  0.550981D+00
      3   0.653363D+00  0.123069D+01 -0.177089D+00 -0.368686D+00 -0.395603D+00
               171           172           173           174           175 
      1  -0.368686D+00  0.100064D+02  0.947154D+00 -0.236081D+01  0.250873D+01
      2  -0.395603D+00  0.947154D+00  0.187045D+00 -0.179928D+00 -0.522138D-01
      3   0.641166D+01 -0.236081D+01 -0.179928D+00  0.261317D+01 -0.675264D+00
               176           177           178           179           180 
      1  -0.522138D-01 -0.675264D+00 -0.571273D+01 -0.418263D+00  0.229410D+01
      2   0.553081D-01  0.523854D+00 -0.418263D+00  0.893896D+00  0.329611D+00
      3   0.523854D+00  0.770059D+00  0.229410D+01  0.329611D+00  0.657179D-01
               181           182           183           184           185 
      1   0.113325D+02  0.498829D+00  0.612697D+00  0.625643D+01  0.110958D+01
      2   0.498829D+00  0.981916D+01  0.730773D+00  0.110958D+01 -0.500203D+01
      3   0.612697D+00  0.730773D+00  0.191072D+01 -0.773384D-01 -0.128405D+01
               186           187           188           189           190 
      1  -0.773384D-01  0.129371D+01 -0.922458D+00  0.434026D+01  0.368195D+02
      2  -0.128405D+01 -0.922458D+00 -0.764260D+00  0.264685D+01  0.260137D+01
      3   0.902398D+00  0.434026D+01  0.264685D+01  0.239076D+01  0.305810D+01
               191           192           193           194           195 
      1   0.260137D+01  0.305810D+01  0.166907D+02  0.623560D+00  0.515647D+00
      2   0.535774D+01  0.567131D+00  0.623560D+00  0.127962D+02  0.157420D+01
      3   0.567131D+00  0.345275D+01  0.515647D+00  0.157420D+01  0.583249D+00
               196           197           198           199           200 
      1   0.588420D+01 -0.847898D+00  0.671830D+01 -0.373919D+02 -0.468841D+01
      2  -0.847898D+00  0.256476D+01  0.118021D+01 -0.468841D+01 -0.749127D+01
      3   0.671830D+01  0.118021D+01  0.213866D+01 -0.419774D+01 -0.104046D+01
               201           202           203           204           205 
      1  -0.419774D+01 -0.194059D+02 -0.770062D+00 -0.182919D+01 -0.807702D+01
      2  -0.104046D+01 -0.770062D+00 -0.544993D+01  0.967248D-01 -0.300130D+00
      3  -0.338031D+00 -0.182919D+01  0.967248D-01 -0.244986D+01 -0.820337D+00
               206           207           208           209           210 
      1  -0.300130D+00 -0.820337D+00 -0.808593D+01  0.825587D+00 -0.778904D+00
      2  -0.607213D+00 -0.343973D+01  0.825587D+00 -0.171019D+01 -0.310542D+00
      3  -0.343973D+01 -0.164699D+01 -0.778904D+00 -0.310542D+00 -0.348399D+00
               211           212           213           214           215 
      1   0.176240D+01  0.145403D+01  0.558032D+00 -0.602495D+00  0.219890D+00
      2   0.145403D+01  0.200728D+01  0.618844D+00  0.219890D+00 -0.124502D-01
      3   0.558032D+00  0.618844D+00 -0.770253D+00  0.483081D+00  0.501057D+00
               216           217           218           219           220 
      1   0.483081D+00 -0.350760D+01 -0.153119D+01 -0.748521D+00 -0.354017D+01
      2   0.501057D+00 -0.153119D+01  0.257380D+01 -0.440581D+00 -0.837359D-01
      3   0.154808D+00 -0.748521D+00 -0.440581D+00  0.130327D+01 -0.104536D+01
               221           222           223           224           225 
      1  -0.837359D-01 -0.104536D+01 -0.962333D+00 -0.587750D+00 -0.110423D+01
      2  -0.108837D+00 -0.165731D+01 -0.587750D+00 -0.107956D+01  0.337859D+01
      3  -0.165731D+01  0.488507D+01 -0.110423D+01  0.337859D+01  0.234681D+01
               226           227           228           229           230 
      1  -0.121331D+01  0.156312D+01  0.131063D+00  0.546984D+00 -0.141926D+01
      2   0.156312D+01 -0.274782D+01 -0.287238D+00 -0.141926D+01  0.952247D+01
      3   0.131063D+00 -0.287238D+00 -0.303660D+00 -0.299224D+00  0.117110D+01
               231           232           233           234           235 
      1  -0.299224D+00 -0.665478D-01 -0.172649D+00  0.127554D+00  0.584984D+01
      2   0.117110D+01 -0.172649D+00  0.124687D+01  0.542736D+00  0.392518D+01
      3   0.103447D+01  0.127554D+00  0.542736D+00  0.320883D+00  0.132310D+01
               236           237           238           239           240 
      1   0.392518D+01  0.132310D+01  0.436817D+01  0.491644D+01  0.128818D+01
      2   0.370201D+01  0.947506D+00  0.491644D+01  0.651738D+01  0.149090D+01
      3   0.947506D+00  0.908958D+00  0.128818D+01  0.149090D+01  0.122847D+01
               241           242           243           244           245 
      1   0.162274D+01  0.139301D+01  0.194123D+00  0.222200D+01 -0.242962D+01
      2   0.139301D+01  0.153430D+01  0.731572D+00 -0.242962D+01  0.141973D+01
      3   0.194123D+00  0.731572D+00  0.401502D+00 -0.217261D+00 -0.351251D-01
               246           247           248           249           250 
      1  -0.217261D+00 -0.370914D+01  0.321132D+01  0.246101D+00 -0.419463D+00
      2  -0.351251D-01  0.321132D+01 -0.597701D+01 -0.615998D+00  0.271489D+00
      3   0.165170D+00  0.246101D+00 -0.615998D+00 -0.738580D+00  0.140021D+00
               251           252           253           254           255 
      1   0.271489D+00  0.140021D+00  0.155159D+02 -0.427054D+00  0.140493D+01
      2  -0.923064D+00 -0.123171D+00 -0.427054D+00  0.972077D+00 -0.273006D-01
      3  -0.123171D+00 -0.121528D+00  0.140493D+01 -0.273006D-01  0.124019D+01
               256           257           258           259           260 
      1   0.187673D+01  0.117972D+01  0.189877D+00  0.178712D+01 -0.314618D-01
      2   0.117972D+01  0.401936D+00  0.299597D+00 -0.314618D-01  0.322577D+00
      3   0.189877D+00  0.299597D+00  0.141591D-01  0.173760D+01 -0.328584D+00
               261           262           263           264           265 
      1   0.173760D+01  0.219504D+00  0.115447D+00 -0.979372D+00 -0.487745D+00
      2  -0.328584D+00  0.115447D+00 -0.179928D+00  0.237816D+00  0.128477D+01
      3   0.372774D+00 -0.979372D+00  0.237816D+00 -0.459100D+00  0.990629D+00
               266           267           268           269           270 
      1   0.128477D+01  0.990629D+00 -0.377514D+01  0.179335D+01  0.239657D+01
      2  -0.176805D+01 -0.143899D+01  0.179335D+01 -0.175333D+01 -0.209535D+01
      3  -0.143899D+01 -0.195381D+01  0.239657D+01 -0.209535D+01 -0.581156D+01
               271           272           273           274           275 
      1  -0.967855D+00  0.272434D+00  0.662443D+00 -0.114026D+01  0.160898D+01
      2   0.272434D+00 -0.829293D+00  0.539482D+00  0.160898D+01 -0.389737D+01
      3   0.662443D+00  0.539482D+00 -0.114925D+01 -0.663748D+00  0.251246D+01
               276           277           278           279 
      1  -0.663748D+00  0.255444D+01 -0.120863D+01  0.121772D+01
      2   0.251246D+01 -0.120863D+01  0.243506D+01 -0.260143D+01
      3  -0.261861D+01  0.121772D+01 -0.260143D+01  0.360280D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.341150D+01 -0.295542D+01  0.310753D+00 -0.740077D+01 -0.630421D+01
      2  -0.798006D+01 -0.363407D+01 -0.139844D+01  0.110989D+02  0.692999D+00
      3  -0.258578D+02  0.197981D+02  0.659049D+00  0.376400D+02  0.156252D+02
                 6             7             8             9            10 
      1  -0.152611D+01  0.275381D+01  0.640603D+01  0.120238D+01 -0.957863D+00
      2  -0.425360D+00 -0.169845D+02 -0.213186D+01 -0.225955D+01  0.191766D+02
      3   0.566015D+01  0.201026D+01  0.634614D+01 -0.271365D+00 -0.164381D+01
                11            12            13            14            15 
      1  -0.541545D+01 -0.681995D+00 -0.391270D+01 -0.176314D+01  0.364233D+00
      2  -0.914608D+00 -0.379167D+01 -0.178642D+02 -0.583268D+01 -0.290208D+01
      3   0.242526D+02  0.274122D+01  0.410428D+02  0.239510D+02  0.840694D+01
                16            17            18            19            20 
      1   0.299308D+01  0.726737D+01  0.190942D+01 -0.436348D+01  0.453069D+00
      2  -0.196554D+02 -0.274384D+01 -0.285158D+01  0.142152D+02  0.586666D+01
      3   0.495955D+01  0.817540D+01  0.189119D+01  0.271971D+02 -0.170033D+02
                21            22            23            24            25 
      1  -0.527420D+00 -0.601034D+00 -0.321286D+01 -0.261481D+01  0.616606D+01
      2   0.117879D+01  0.118935D+02  0.199370D+01 -0.673968D+00 -0.153568D+02
      3   0.129382D+00  0.921117D+01  0.116122D+01  0.264921D+00 -0.592851D+00
                26            27            28            29            30 
      1   0.284457D+01 -0.209596D+01 -0.561529D-01 -0.117319D+01 -0.417118D+00
      2  -0.624092D+01 -0.292229D+01 -0.230637D+02 -0.376890D+01  0.542313D+00
      3  -0.375424D+01  0.156332D+01 -0.444675D+01  0.531015D+01  0.725499D+00
                31            32            33            34            35 
      1  -0.608529D+01  0.280629D+01  0.290416D+01 -0.178256D+01  0.127677D+02
      2  -0.609917D+01  0.191670D+01  0.169572D+00 -0.132632D+02 -0.211912D+00
      3   0.207297D+02 -0.220679D+01 -0.297087D+01  0.157810D+01  0.352305D+00
                36            37            38            39            40 
      1   0.332096D+01 -0.875581D+00  0.466379D+01 -0.312892D+01  0.398450D+01
      2  -0.908344D+00 -0.228458D+01  0.295396D+00  0.150396D+01 -0.302647D+01
      3  -0.163635D+01  0.181869D+02 -0.324375D+01 -0.829298D+00  0.224794D+01
                41            42            43            44            45 
      1  -0.348967D+01 -0.204058D+01 -0.140160D+02  0.461791D+01 -0.113734D+01
      2  -0.413321D+01  0.105193D+01 -0.108878D+02  0.628301D+01 -0.912952D+00
      3   0.641784D+01  0.274991D+01 -0.681131D+00  0.185824D+01  0.498910D+01
                46            47            48            49            50 
      1   0.173841D+01 -0.533886D+00  0.366114D+01  0.311700D+00  0.320581D+01
      2   0.851887D+01  0.318987D+01  0.221205D+01  0.309837D+01  0.279543D+01
      3  -0.302741D+02 -0.239856D+02 -0.516062D+01 -0.657018D+01 -0.185486D+02
                51            52            53            54            55 
      1  -0.285254D+01  0.100765D+02 -0.190891D+01  0.292793D+01  0.230174D+01
      2   0.116264D+01 -0.153217D+02 -0.742697D-01  0.182175D+00  0.410275D+01
      3  -0.346050D+01 -0.708699D+01 -0.520221D+01 -0.609931D+01 -0.251327D+02
                56            57            58            59            60 
      1   0.343181D+01  0.571032D+01 -0.123026D+01  0.320842D+01 -0.235418D+01
      2   0.606263D+00 -0.360676D+01  0.325922D+01  0.178140D+01  0.377936D+01
      3  -0.113314D+02 -0.301584D+01 -0.111528D+01 -0.171668D+02 -0.534897D+00
                61            62            63            64            65 
      1   0.976737D+01 -0.138908D+01  0.135290D+01 -0.313980D+00 -0.679640D+00
      2  -0.197486D+02  0.407739D+01  0.239179D+00  0.354258D+00  0.132621D+00
      3  -0.431473D+01 -0.155742D+01 -0.119072D+02 -0.203050D+01  0.169763D+01
                66            67            68            69            70 
      1   0.914123D+00  0.295198D+00 -0.140423D+01 -0.348294D+01  0.386306D+00
      2   0.113939D+00  0.470263D+00 -0.103126D+01 -0.147136D+01 -0.205584D+01
      3   0.362738D-01  0.573440D+01  0.377622D+01  0.773540D+00  0.130723D+00
                71            72            73            74            75 
      1   0.155331D+01  0.159314D+00  0.208812D+00  0.123988D+01 -0.208331D+01
      2   0.990250D+00  0.103361D-01 -0.360450D+01 -0.128932D+01  0.108829D+01
      3   0.869140D+00 -0.662103D+00  0.774569D+01  0.241751D+00  0.778029D+00
                76            77            78            79            80 
      1   0.135994D+01  0.258202D+01 -0.278198D+01  0.288630D+01  0.189829D+01
      2  -0.149747D+01 -0.128671D+01  0.193568D+01 -0.308430D+01 -0.346695D+00
      3   0.174696D+01 -0.212314D+01 -0.980231D-01  0.171347D+01 -0.173119D+00
                81            82            83            84            85 
      1   0.979789D-01  0.133575D+01 -0.161514D+01  0.147814D+01 -0.555692D+00
      2   0.679590D+00  0.153006D+01 -0.127247D+01  0.806406D+00 -0.109099D+01
      3  -0.866950D+00 -0.601876D+01  0.297055D+01  0.230450D+00  0.533262D+01
                86            87            88            89            90 
      1   0.392531D+01 -0.379155D+01 -0.132577D+01  0.221074D+01 -0.383415D+00
      2   0.177946D+01 -0.980378D+00 -0.407175D+00 -0.517289D+00 -0.330641D+00
      3  -0.327841D+01 -0.961216D+00 -0.242700D+00 -0.853959D+00  0.632850D+00
                91            92            93            94            95 
      1  -0.911536D+00 -0.162475D+01  0.446932D+00  0.895561D+00  0.176786D+00
      2   0.186697D+02  0.382769D+01 -0.934281D+01  0.325361D+01 -0.760307D+01
      3   0.510859D+01  0.355078D+00 -0.115660D+01  0.183217D+02 -0.676224D+01
                96            97            98            99           100 
      1  -0.317191D+01 -0.365926D+00  0.409496D+01 -0.375277D+01 -0.165689D+01
      2  -0.438815D+01 -0.357040D+02 -0.796995D+01  0.420797D+01  0.255755D+01
      3   0.125781D+02 -0.296558D+01  0.105306D+02  0.772268D+01  0.142539D+02
               101           102           103           104           105 
      1   0.287232D+01  0.242456D+01  0.796234D+00  0.328879D+01  0.594861D+01
      2  -0.481884D+01  0.158702D+02 -0.163793D+01  0.783991D+01  0.876901D+01
      3  -0.160029D+02  0.814298D+01 -0.927742D+01 -0.175658D+00 -0.122664D+02
               106           107           108           109           110 
      1  -0.648818D+00  0.102877D+02  0.825630D-01  0.409866D+01  0.143625D+01
      2   0.722431D+01  0.126532D+02 -0.123870D+02 -0.193098D+02 -0.381907D+01
      3   0.636405D+01 -0.818573D+01 -0.165106D+02 -0.288176D+01  0.138134D+02
               111           112           113           114           115 
      1   0.560115D+01  0.113065D+02  0.540040D+01 -0.150426D+02  0.345390D+01
      2   0.127893D+01 -0.144669D+01 -0.982238D+00 -0.366133D+01  0.161267D+02
      3   0.958898D+00  0.113626D+02  0.100116D+02 -0.216357D+01  0.400706D+01
               116           117           118           119           120 
      1  -0.397567D+01 -0.223636D+01  0.760628D+00  0.119426D+01  0.282342D+00
      2  -0.726223D+00 -0.216206D+01  0.301372D+01  0.208921D+00  0.531665D+01
      3  -0.340643D+01 -0.160065D+01 -0.714197D+01 -0.527335D+01 -0.146479D+01
               121           122           123           124           125 
      1   0.371397D+00  0.238813D+01  0.434925D+00  0.237862D-01  0.270065D+01
      2  -0.116744D+01  0.534572D+01  0.648431D+01  0.507449D+01  0.575595D+01
      3  -0.244880D+01 -0.939560D+01 -0.735957D+01 -0.115741D+01 -0.799614D+01
               126           127           128           129           130 
      1   0.801459D+00  0.960925D+00 -0.141617D+01 -0.214896D+01 -0.245140D+00
      2   0.101261D+02  0.742296D+01  0.332270D+01 -0.888092D+01  0.663195D+00
      3  -0.725747D+01  0.400158D+01  0.509707D+01 -0.597522D+01  0.344478D+01
               131           132           133           134           135 
      1  -0.282413D+00 -0.230328D+01 -0.147627D+01  0.102946D+01  0.633683D+01
      2   0.513257D+01 -0.687106D+01 -0.592178D+01 -0.955087D+01  0.249702D+02
      3   0.607337D+01 -0.586809D+01 -0.296588D+01 -0.713946D+01  0.128342D+02
               136           137           138           139           140 
      1  -0.196011D+01 -0.766168D+00 -0.152004D+01  0.809737D-01 -0.761469D+01
      2  -0.289202D+01  0.902440D+00 -0.157289D+01  0.100572D+01 -0.662074D+01
      3   0.450345D+01  0.377638D+01  0.134495D+01  0.269625D+01  0.174693D+02
               141           142           143           144           145 
      1  -0.691015D+01 -0.258233D-01 -0.491457D+01 -0.753717D+01  0.560885D+00
      2  -0.614238D+01 -0.147667D+01 -0.664900D+01 -0.778572D+01 -0.679287D+01
      3   0.753184D+01  0.122557D+01  0.113509D+02  0.883950D+01 -0.914678D+01
               146           147           148           149           150 
      1   0.158686D+01  0.175201D+01  0.124594D+01 -0.215401D+00 -0.112224D+01
      2   0.204159D+00  0.542434D+01  0.524378D+00 -0.178772D+01 -0.226709D+00
      3  -0.599030D+01 -0.653815D+00 -0.242477D+01 -0.557720D+00  0.117231D+01
               151           152           153           154           155 
      1   0.148179D+01 -0.346517D+00  0.370371D+00 -0.322152D+01 -0.123427D+01
      2   0.294882D+01 -0.171647D+01  0.225227D+01  0.939180D+01  0.286280D+00
      3  -0.141637D+01  0.925547D+00  0.492514D+00 -0.501906D+01 -0.239852D+02
               156           157           158           159           160 
      1  -0.574463D+01 -0.800899D+01 -0.326509D+01 -0.150559D+00 -0.308698D+01
      2   0.217418D+02 -0.181352D+01  0.121009D+01  0.578351D+01  0.855619D+01
      3   0.104129D+01 -0.152398D+02 -0.145564D+02  0.154315D+01  0.254023D+00
               161           162           163           164           165 
      1   0.277808D+01  0.321355D+00 -0.447727D+01 -0.222179D+01  0.409233D+00
      2   0.391944D+01 -0.138913D+01  0.698110D+01  0.327919D+01  0.159100D+01
      3   0.263404D+01 -0.220638D+01 -0.490165D+01 -0.357172D+01 -0.397672D-01
               166           167           168           169           170 
      1  -0.455402D+01 -0.601337D+00  0.430532D+01  0.211612D+01  0.727538D+01
      2   0.353672D+01 -0.511311D+01  0.134963D+01 -0.949814D+01  0.915622D+00
      3   0.185273D+01 -0.574016D-01  0.545362D+01 -0.108769D+01  0.227359D+01
               171           172           173           174           175 
      1   0.310935D+01  0.580934D+01  0.221148D+01 -0.116453D+01  0.546137D+01
      2  -0.206338D+02 -0.183811D+02 -0.227866D+01 -0.467609D+01 -0.435910D+01
      3  -0.797316D+00  0.301781D+01  0.183078D+01 -0.102092D+01  0.495476D+01
               176           177           178           179           180 
      1   0.883491D+00 -0.268613D+01 -0.138263D+01 -0.990269D+00  0.643093D+00
      2  -0.210906D+01 -0.151632D+01 -0.580454D+00  0.196281D+00 -0.123055D+01
      3   0.175797D+00  0.399794D+00 -0.153366D+01 -0.759301D+00  0.702444D+00
               181           182           183           184           185 
      1  -0.283144D+00 -0.118925D+01 -0.521707D+01  0.330749D+01 -0.215742D+01
      2  -0.114762D+01  0.111928D+01  0.591718D+01  0.273612D+01 -0.692732D+01
      3   0.213601D+02 -0.134762D+02  0.102094D+00 -0.432736D+01  0.234830D+02
               186           187           188           189           190 
      1  -0.188144D+01 -0.144402D+02  0.556132D+01 -0.266556D+01 -0.183339D+01
      2   0.130471D+01 -0.109955D+01  0.905314D+01  0.387205D+01  0.105091D+02
      3   0.403494D+01 -0.506638D+00  0.461418D+01  0.229421D+01  0.960114D+01
               191           192           193           194           195 
      1  -0.542821D+01 -0.146111D+01 -0.635813D+01 -0.432915D+01  0.305806D+01
      2  -0.285326D+01  0.102153D+01 -0.185424D+01  0.472644D+01  0.109290D+01
      3   0.178379D+02  0.454406D+01  0.424071D+02 -0.209140D+02  0.152207D+01
               196           197           198           199           200 
      1   0.124652D+01  0.110626D+02  0.278044D+01 -0.130835D+00  0.372030D+01
      2   0.196989D+01  0.265559D+01  0.329832D+01 -0.136696D+02  0.102004D+01
      3   0.959289D+01  0.105371D+01 -0.723826D+00  0.732589D+01 -0.152648D+02
               201           202           203           204           205 
      1   0.300731D+00  0.993397D+00  0.174196D+01 -0.291907D+01  0.288347D+01
      2   0.247698D+01 -0.129408D+01  0.242955D+01 -0.437267D+01 -0.214653D+02
      3  -0.193640D+01 -0.736669D+01  0.468291D+00 -0.315569D+01 -0.438044D+01
               206           207           208           209           210 
      1   0.419342D+01  0.864258D+00  0.171190D+01  0.501754D+01  0.147953D+01
      2  -0.122408D+02 -0.586760D+01 -0.445075D+00  0.413022D+01  0.113297D+02
      3  -0.515920D+01  0.540918D+01 -0.149135D+02 -0.347231D+02 -0.568696D+01
               211           212           213           214           215 
      1   0.570938D+00  0.145974D+01 -0.597085D+01 -0.274257D+01  0.508312D+00
      2   0.165538D+01  0.225426D+01 -0.632790D+01 -0.398771D+01  0.487422D+01
      3   0.234121D+01 -0.769231D+01 -0.253659D+01 -0.235802D+01 -0.467650D+01
               216           217           218           219           220 
      1  -0.127720D+01 -0.222104D+01 -0.108889D+01  0.130617D+01  0.786245D+00
      2   0.968796D+00 -0.645205D+01 -0.292855D+01  0.716681D+01 -0.421083D+01
      3  -0.256566D+01  0.294776D+02 -0.976076D+01  0.662619D+01 -0.130984D+01
               221           222           223           224           225 
      1  -0.743264D+00  0.682594D+01 -0.935772D+01  0.847556D+01  0.445142D+01
      2  -0.657724D+01  0.294498D+02 -0.679475D+01  0.196316D+02  0.145986D+02
      3  -0.176222D+02  0.810576D+01  0.526906D+01  0.575893D+01 -0.249140D+02
               226           227           228           229           230 
      1   0.513349D+00 -0.444246D+00  0.169871D+01  0.374674D+00  0.193561D+00
      2   0.111207D+01 -0.965136D+00  0.153294D+00 -0.107656D+01  0.306522D+01
      3  -0.857141D+01  0.757957D+01  0.503321D+00  0.661833D+01 -0.199396D+02
               231           232           233           234           235 
      1  -0.449231D+01 -0.101783D+01  0.147883D+01 -0.595289D+00 -0.136325D+01
      2   0.753490D+00  0.407075D-02  0.678261D+00  0.251535D+00  0.178218D+01
      3  -0.300214D+01  0.240275D-01 -0.259245D+01 -0.256653D+00  0.802487D+00
               236           237           238           239           240 
      1  -0.139875D+00 -0.258782D+01 -0.713523D+00  0.590527D-01 -0.350611D+01
      2   0.161632D+01  0.352507D+01  0.252341D+01  0.302025D+01  0.470603D+01
      3  -0.572610D+01 -0.433728D+00 -0.632092D+01 -0.131972D+02 -0.241228D+01
               241           242           243           244           245 
      1   0.214132D+01  0.820858D+00 -0.417987D+00  0.456245D+00 -0.485813D+00
      2  -0.187681D+01  0.205189D+01  0.146453D+01  0.510924D+00 -0.661228D+00
      3  -0.879304D+00 -0.237378D+01 -0.211188D+01  0.139685D+01 -0.205855D+01
               246           247           248           249           250 
      1   0.836562D+00 -0.694198D+00  0.379836D+00 -0.293819D+01  0.430181D+00
      2   0.656025D+00 -0.608446D+00 -0.135743D+01 -0.252817D+01 -0.138933D+01
      3  -0.394804D-02 -0.551410D+00  0.148097D+02  0.199215D+01 -0.521852D-01
               251           252           253           254           255 
      1   0.139236D+01 -0.884344D-01  0.141931D+01  0.582494D+00  0.126327D+01
      2   0.795797D+00 -0.232340D+00  0.511204D+01  0.119136D+00  0.909940D+01
      3   0.280670D+01  0.247878D-01 -0.127103D+02 -0.854449D+01 -0.155695D+01
               256           257           258           259           260 
      1   0.271518D+00  0.490765D+00 -0.676808D+00  0.196334D+01  0.878548D-01
      2   0.736669D+00  0.145866D+01  0.169970D+00  0.807086D+01 -0.171282D+01
      3  -0.658621D+01 -0.352540D+01 -0.195478D+01 -0.173127D+01 -0.242437D+01
               261           262           263           264           265 
      1   0.146943D+00 -0.810059D+00  0.138113D+00 -0.100576D+01  0.527725D+00
      2   0.183381D+01 -0.704968D+01  0.123212D+01 -0.225876D+01  0.491357D+01
      3   0.105416D+01  0.873996D+00  0.255237D+01  0.475555D+00 -0.438519D+01
               266           267           268           269           270 
      1  -0.176770D+01 -0.364027D+01  0.344132D+01 -0.976393D+00 -0.927122D+01
      2  -0.812288D+01 -0.114484D+02  0.852699D+01 -0.121171D+02 -0.327432D+02
      3   0.126482D+02  0.912458D+01 -0.609514D+01  0.117518D+02  0.150294D+02
               271           272           273           274           275 
      1   0.148639D+00 -0.136029D+00 -0.218698D+01 -0.203085D+00  0.736037D+00
      2   0.573322D+01  0.206899D+01 -0.544957D+01 -0.232186D+01  0.120423D+02
      3   0.187382D+01  0.697700D+01 -0.432904D+01 -0.430179D+01  0.256147D+02
               276           277           278           279 
      1  -0.402137D+01  0.142190D+01 -0.960390D+00  0.480440D+01
      2  -0.140263D+02  0.259809D+01 -0.135475D+02  0.180385D+02
      3  -0.149464D+02  0.291919D+01 -0.150469D+02  0.169081D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.737917D+02 -0.352870D+02 -0.115686D+02  0.810170D+02 -0.150043D+01
      2   0.397434D+02  0.227871D+02  0.871224D+01 -0.362487D+02  0.118286D+02
      3   0.340483D+02  0.125000D+02  0.285640D+01 -0.447684D+02 -0.103282D+02
      4  -0.109798D+02  0.165482D+02  0.310239D+01  0.103075D+02  0.236098D+02
      5  -0.873146D+01  0.954262D+00 -0.334047D+01 -0.744115D-02  0.197432D+01
      6  -0.959303D+00  0.518458D+01 -0.925365D-02 -0.200001D+01  0.109857D+00
                 6             7             8             9            10 
      1   0.102792D+02  0.529014D+01 -0.228449D+01 -0.967355D+01  0.901767D+02
      2  -0.147419D+01  0.284810D+00  0.407281D+01  0.190498D+00 -0.365371D+02
      3  -0.880497D+01 -0.557495D+01 -0.178832D+01  0.948305D+01 -0.536396D+02
      4   0.547562D+01  0.705380D+00  0.467756D+01  0.266770D+01 -0.284249D+02
      5  -0.262628D+01 -0.780248D+00  0.156074D+01 -0.332364D+01  0.315903D+01
      6  -0.596338D+00 -0.259764D+01  0.437822D+01 -0.247308D+01 -0.568775D+00
                11            12            13            14            15 
      1  -0.200702D+02  0.726330D+01 -0.818712D+02 -0.303846D+02 -0.125854D+02
      2   0.161554D+02  0.100058D-01  0.318580D+02  0.188081D+02  0.814752D+01
      3   0.391481D+01 -0.727331D+01  0.500132D+02  0.115765D+02  0.443792D+01
      4   0.155906D+02  0.236941D+01 -0.304520D+02 -0.178165D+02 -0.492560D+01
      5   0.353199D+01 -0.972046D+01 -0.377026D+01 -0.136788D+01  0.176041D+00
      6   0.187111D+01 -0.205288D+00 -0.165836D+01  0.499421D+01 -0.575729D+00
                16            17            18            19            20 
      1  -0.304357D+01 -0.683008D+01 -0.613090D+01  0.406838D+02  0.413212D+02
      2   0.320324D+01  0.437371D+01 -0.238273D+01 -0.219093D+02 -0.283588D+02
      3  -0.159674D+00  0.245637D+01  0.851362D+01 -0.187745D+02 -0.129624D+02
      4  -0.918854D+01 -0.114612D+01 -0.384555D+01  0.160637D+02 -0.199107D+02
      5   0.283142D+01 -0.158048D+01 -0.388601D+01  0.654343D+01  0.149475D+01
      6  -0.229604D+01  0.446670D+01 -0.130759D+01  0.178967D+01 -0.950010D+01
                21            22            23            24            25 
      1   0.144977D+02 -0.116860D+02  0.205934D+02  0.886949D+01  0.236108D+01
      2  -0.837564D+01  0.189215D+02 -0.226444D+02 -0.516666D+01  0.386981D+01
      3  -0.612204D+01 -0.723546D+01  0.205097D+01 -0.370283D+01 -0.623089D+01
      4  -0.103057D+01  0.108603D+02 -0.112311D+01  0.179447D+01  0.802218D+01
      5   0.339071D+00  0.356213D+01  0.239070D+01 -0.436635D+01  0.820804D+01
      6  -0.109134D+01  0.598425D+01 -0.983220D+01  0.408881D+01  0.459882D+00
                26            27            28            29            30 
      1   0.169616D+02 -0.482860D+01  0.184319D+02  0.621035D+01 -0.631965D+01
      2  -0.109608D+02 -0.475549D+01 -0.245678D+02 -0.239743D+01  0.220518D+01
      3  -0.600080D+01  0.958408D+01  0.613587D+01 -0.381291D+01  0.411447D+01
      4   0.536677D+00 -0.433416D+01  0.108669D+02  0.118876D+02  0.169602D+01
      5  -0.726056D+01 -0.481820D+01 -0.484167D+01  0.213692D+01  0.700238D+01
      6   0.794794D+01 -0.369170D+01 -0.428216D+01  0.323428D+01  0.124638D+01
                31            32            33            34            35 
      1  -0.218664D+02 -0.567423D+02 -0.124261D+02 -0.126275D+02 -0.121632D+02
      2   0.147926D+02  0.458689D+02  0.134600D+02 -0.238031D+00  0.927687D+01
      3   0.707388D+01  0.108735D+02 -0.103387D+01  0.128655D+02  0.288634D+01
      4  -0.360372D+02  0.166619D+02  0.392793D+01 -0.111750D+02  0.548515D+01
      5  -0.124162D+02  0.220181D+00 -0.675371D+00  0.214366D+02  0.465003D+01
      6  -0.366901D+01  0.155049D+02  0.988762D-02 -0.122479D+01  0.706189D+01
                36            37            38            39            40 
      1  -0.691785D+01 -0.969394D+01 -0.598242D+02 -0.129102D+02  0.269932D+02
      2  -0.629321D+01  0.378569D+01  0.424984D+02  0.523387D+01 -0.242660D+02
      3   0.132111D+02  0.590825D+01  0.173258D+02  0.767633D+01 -0.272724D+01
      4   0.195611D+01 -0.270194D+02  0.752895D+00 -0.458217D+01  0.216431D+02
      5   0.211911D+01 -0.182498D+01 -0.740519D+01  0.595288D+00  0.114368D+01
      6  -0.191346D+01 -0.705209D+01  0.808339D+01  0.763003D+01 -0.537050D+01
                41            42            43            44            45 
      1   0.328644D+02  0.801100D+01 -0.150641D+01 -0.450359D+01 -0.163431D+02
      2  -0.287681D+02 -0.859761D+01 -0.113326D+02 -0.437209D+01 -0.183441D+01
      3  -0.409633D+01  0.586609D+00  0.128390D+02  0.887568D+01  0.181775D+02
      4  -0.214326D+02 -0.601204D+01 -0.893872D+01 -0.733575D+01  0.448231D+01
      5  -0.421772D+01  0.505981D+01  0.119389D+02  0.421769D+01  0.551790D+01
      6  -0.131597D+02 -0.570547D+00  0.144008D+02  0.966839D+01  0.737848D+01
                46            47            48            49            50 
      1   0.159045D+02  0.509163D+02  0.150706D+02 -0.127494D+02  0.120250D+02
      2  -0.108736D+02 -0.329199D+02 -0.545800D+01  0.113440D+02 -0.162713D+02
      3  -0.503090D+01 -0.179964D+02 -0.961257D+01  0.140538D+01  0.424628D+01
      4   0.291170D+02 -0.134812D+02  0.320051D+00  0.174526D+02  0.952413D+01
      5  -0.384848D+01 -0.139725D+00  0.175040D+01 -0.221035D+00  0.228498D+01
      6   0.249973D+01 -0.110306D+02 -0.840646D+01  0.473192D+01 -0.820240D+01
                51            52            53            54            55 
      1   0.411553D+01  0.167500D+01  0.109712D+02 -0.175981D+02 -0.219382D+02
      2  -0.660172D+01  0.280223D+01 -0.173750D+02  0.557811D+01  0.347059D+01
      3   0.248619D+01 -0.447723D+01  0.640379D+01  0.120200D+02  0.184676D+02
      4   0.384602D+01  0.675948D+01 -0.150349D+01 -0.328442D+01 -0.496584D+01
      5   0.278967D+00  0.459725D+01 -0.141307D+01 -0.454407D+01  0.433582D+01
      6   0.495809D+01 -0.514064D+01  0.152412D+02  0.390866D+01  0.154365D+01
                56            57            58            59            60 
      1   0.379058D+02  0.744725D+01 -0.621643D+01  0.190083D+02  0.640035D+01
      2  -0.315240D+02 -0.387297D+01  0.621965D+01 -0.215384D+02 -0.688993D+01
      3  -0.638183D+01 -0.357428D+01 -0.321648D-02  0.253009D+01  0.489586D+00
      4  -0.507308D+02 -0.789874D+01  0.140045D+02  0.491504D+01 -0.880238D+00
      5  -0.422673D+01 -0.644759D+01  0.417397D+01 -0.862784D+00  0.520297D+01
      6  -0.646934D+01 -0.900361D+01  0.356960D+01 -0.828407D+01  0.593305D+01
                61            62            63            64            65 
      1  -0.154236D+01  0.117291D+02 -0.230194D+02  0.177094D+01  0.416474D+00
      2   0.203255D+01 -0.159325D+02  0.933462D+01  0.218067D+01 -0.251788D+01
      3  -0.490192D+00  0.420340D+01  0.136848D+02 -0.395160D+01  0.210140D+01
      4   0.158919D+01 -0.111435D+02  0.576165D+01 -0.919563D+01  0.972402D+01
      5  -0.249218D+00  0.101681D+02 -0.714524D+00  0.203981D+01 -0.980560D+00
      6  -0.548497D+01  0.185091D+02  0.770660D+00 -0.154292D+01  0.133277D+01
                66            67            68            69            70 
      1   0.629531D+00  0.363947D+01 -0.187647D+02 -0.856180D+00  0.273670D+01
      2  -0.297090D+00 -0.805778D+01  0.257927D+02  0.747370D+00 -0.214487D+01
      3  -0.332440D+00  0.441831D+01 -0.702801D+01  0.108810D+00 -0.591831D+00
      4  -0.947656D-01  0.134833D+02 -0.188581D+02 -0.763383D+00  0.832248D+00
      5   0.105834D+01 -0.700448D+00 -0.636545D+00 -0.242839D+01  0.603230D+00
      6  -0.972608D+00  0.152441D+01 -0.230879D+01  0.476288D+01 -0.200539D+01
                71            72            73            74            75 
      1  -0.296578D+01 -0.274621D+01  0.154579D+01 -0.498859D+01 -0.206307D+01
      2   0.303144D+01  0.315698D+01  0.486687D+01  0.101754D+02  0.139221D+01
      3  -0.656586D-01 -0.410760D+00 -0.641267D+01 -0.518676D+01  0.670865D+00
      4  -0.211822D+01 -0.125898D+01  0.215385D+02  0.201101D+02  0.535066D+01
      5  -0.192111D+00 -0.168410D+00  0.821434D+01  0.570000D+01  0.504725D+01
      6   0.216638D+01  0.983709D+00  0.725648D+01  0.729113D+01  0.483538D+01
                76            77            78            79            80 
      1  -0.946710D+01 -0.201254D+02 -0.649046D+01 -0.965693D+00 -0.444292D+01
      2   0.157025D+02  0.290149D+02  0.536742D+01  0.362096D+01  0.499261D+01
      3  -0.623543D+01 -0.888948D+01  0.112303D+01 -0.265527D+01 -0.549687D+00
      4   0.227588D+02  0.284159D+02  0.672752D+01  0.681819D+01  0.665574D+01
      5   0.627038D+01  0.711921D+01  0.493794D+01  0.255497D+01  0.375350D+01
      6   0.980493D+01  0.142022D+02  0.888379D+01  0.177879D+01  0.579254D+01
                81            82            83            84            85 
      1  -0.202028D+01 -0.477110D+01  0.919774D+01  0.113693D+01  0.817842D+01
      2   0.245815D+01  0.791706D+01 -0.135122D+02 -0.105222D+01 -0.105048D+02
      3  -0.437865D+00 -0.314596D+01  0.431447D+01 -0.847058D-01  0.232640D+01
      4   0.464260D+01 -0.777879D+01  0.143974D+02  0.210789D+01  0.954566D+01
      5   0.260931D+01 -0.260310D+01  0.366345D+01  0.271133D+01  0.252406D+01
      6   0.367622D+01  0.266474D+01 -0.347472D+01 -0.283229D+01 -0.358279D+01
                86            87            88            89            90 
      1  -0.432795D+02 -0.737754D+01  0.104163D+01 -0.637980D+01 -0.293771D+01
      2   0.568929D+02  0.660058D+01 -0.155970D+01  0.689851D+01  0.317633D+01
      3  -0.136134D+02  0.776962D+00  0.518072D+00 -0.518717D+00 -0.238629D+00
      4  -0.197145D+02 -0.295393D+01  0.151526D+01 -0.121518D+01 -0.261925D+01
      5  -0.614761D+01 -0.270139D+01  0.149590D+01 -0.266313D+01 -0.804913D+00
      6   0.151629D+02  0.933595D+01 -0.334492D+00  0.617125D+01  0.280564D+01
                91            92            93            94            95 
      1  -0.266035D+02 -0.163074D+02  0.115012D+02 -0.112456D+02 -0.372999D+01
      2   0.219080D+02  0.140435D+02 -0.609955D+01  0.114630D+02  0.357156D+01
      3   0.469543D+01  0.226392D+01 -0.540163D+01 -0.217390D+00  0.158429D+00
      4  -0.189512D+02 -0.151943D+02  0.328753D+01 -0.249014D+02  0.127748D+02
      5   0.147470D+02  0.275499D+01 -0.226613D+02 -0.157747D+00 -0.258624D+02
      6   0.617933D+00 -0.456846D+01 -0.580369D+00 -0.702990D+01  0.211475D+01
                96            97            98            99           100 
      1  -0.186745D+01  0.267749D+02  0.543936D+01 -0.173006D+02 -0.645453D+02
      2   0.592255D+01 -0.180251D+02  0.520409D+00  0.128981D+02  0.378153D+02
      3  -0.405509D+01 -0.874980D+01 -0.595977D+01  0.440244D+01  0.267300D+02
      4  -0.261662D+02  0.678781D+01 -0.196478D+02 -0.140981D+02  0.195970D+02
      5  -0.760668D+01 -0.378833D+02 -0.145791D+02 -0.207020D+01 -0.287991D+02
      6  -0.886328D+01 -0.624282D+01 -0.371885D+01 -0.642941D+01  0.428817D+01
               101           102           103           104           105 
      1   0.192366D+02 -0.265948D+02 -0.627646D+00  0.105282D+02 -0.253273D+01
      2  -0.138583D+02  0.811688D+01 -0.338651D+01 -0.763095D+01 -0.141619D+02
      3  -0.537827D+01  0.184779D+02  0.401415D+01 -0.289728D+01  0.166946D+02
      4   0.160466D+02 -0.387678D+01  0.208767D+02 -0.145848D+02  0.258933D+02
      5  -0.499983D+01  0.188734D+02 -0.740443D+01  0.263116D+02  0.105215D+02
      6   0.580693D+01 -0.114462D+02  0.861669D+01 -0.110456D+02 -0.413276D+01
               106           107           108           109           110 
      1  -0.190338D+02 -0.633853D+01  0.348446D+02 -0.825615D+02 -0.157687D+02
      2   0.858000D+01 -0.110758D+02 -0.162999D+02  0.300350D+02 -0.873711D+00
      3   0.104538D+02  0.174143D+02 -0.185447D+02  0.525265D+02  0.166424D+02
      4  -0.549576D+01  0.167676D+02  0.147621D+02 -0.299617D+02 -0.250160D+02
      5   0.127245D+02  0.188218D+02 -0.112507D+02  0.106779D+02  0.647952D+01
      6  -0.676617D+01 -0.886662D+01  0.137308D+02  0.153207D+01  0.211522D+01
               111           112           113           114           115 
      1   0.423612D+01 -0.178272D+02 -0.970203D+01  0.258496D+01 -0.344198D+02
      2  -0.148078D+00  0.327847D+01  0.528624D+01 -0.424763D+00  0.253974D+02
      3  -0.408804D+01  0.145488D+02  0.441579D+01 -0.216019D+01  0.902246D+01
      4   0.416888D+01  0.488394D+01 -0.119643D+02  0.173552D+01 -0.391730D+01
      5  -0.969172D+01  0.366219D+01  0.296672D+01 -0.141318D+01  0.280039D+02
      6  -0.255037D+01  0.391489D+01  0.107127D+01  0.250432D+01  0.877431D+01
               116           117           118           119           120 
      1  -0.289890D+01  0.224699D+02  0.105659D+02  0.810655D+01  0.533243D+01
      2   0.394081D+01 -0.648231D+01 -0.868409D+01 -0.573078D+01 -0.507656D+01
      3  -0.104192D+01 -0.159876D+02 -0.188182D+01 -0.237577D+01 -0.255868D+00
      4   0.118384D+01  0.546073D+01  0.144547D+02  0.114838D+02  0.438229D+01
      5   0.563899D+01 -0.394283D+01  0.137411D+02  0.536569D+01  0.156491D+02
      6  -0.128669D+01  0.101984D+01  0.550469D+01  0.281865D+01  0.306002D+01
               121           122           123           124           125 
      1   0.162799D+02  0.647767D+00 -0.101359D+01  0.718380D+01 -0.158439D+01
      2  -0.105517D+02 -0.618905D+00 -0.221741D+01 -0.813633D+01 -0.323288D+01
      3  -0.572823D+01 -0.288626D-01  0.323099D+01  0.952533D+00  0.481727D+01
      4   0.156442D+02  0.196395D+02  0.158381D+02  0.607014D+01  0.152929D+02
      5   0.105838D+02  0.161636D+02  0.151405D+02  0.223979D+02  0.142274D+02
      6   0.475692D+01  0.969933D+01  0.989966D+01  0.507183D+01  0.847479D+01
               126           127           128           129           130 
      1  -0.474032D+00 -0.641106D+01 -0.977343D+01  0.197250D+02 -0.220716D+01
      2  -0.102980D+02  0.215076D+00  0.598077D+01 -0.473053D+01  0.123249D+01
      3   0.107720D+02  0.619599D+01  0.379266D+01 -0.149945D+02  0.974676D+00
      4   0.143504D+02  0.168246D+00 -0.575933D+01  0.163250D+01  0.319815D+00
      5   0.287302D+02  0.508512D+01  0.384672D+01 -0.825326D+01 -0.663548D+00
      6   0.980473D+01 -0.427439D+01 -0.588415D+01  0.951469D+01 -0.130268D+01
               131           132           133           134           135 
      1  -0.127188D+02  0.112393D+02  0.127640D+02  0.134776D+02 -0.361303D+02
      2   0.757430D+01 -0.445548D+01 -0.495325D+01 -0.350270D+01 -0.109254D+01
      3   0.514447D+01 -0.678386D+01 -0.781078D+01 -0.997491D+01  0.372228D+02
      4  -0.743573D+01  0.657827D+01 -0.641928D+01  0.117798D+02 -0.143460D+02
      5   0.634282D+01 -0.103137D+02  0.492299D+01 -0.172956D+02  0.401952D+02
      6  -0.926145D+01  0.136370D+02  0.479768D+00  0.160173D+02 -0.278427D+02
               136           137           138           139           140 
      1   0.240158D+01 -0.812939D+01 -0.168865D+01 -0.666221D+01 -0.137988D+02
      2   0.155869D+01  0.631907D+01  0.235399D+01  0.139747D+01  0.273174D+02
      3  -0.396028D+01  0.181032D+01 -0.665333D+00  0.526474D+01 -0.135186D+02
      4  -0.483264D+01 -0.119992D+01  0.177675D+01  0.834022D+01 -0.294142D+02
      5  -0.232776D+01 -0.925071D-01 -0.348638D+01  0.314627D+00 -0.130680D+02
      6   0.175244D+01 -0.759011D+00  0.261174D+01 -0.550570D+00  0.394349D+01
               141           142           143           144           145 
      1  -0.422491D+01 -0.613956D+01 -0.412889D+01 -0.915818D+01  0.103379D+03
      2   0.114454D+02  0.193989D+01  0.139455D+02  0.105298D+02 -0.548486D+02
      3  -0.722053D+01  0.419967D+01 -0.981656D+01 -0.137161D+01 -0.485302D+02
      4  -0.118428D+02  0.930684D+01 -0.213514D+02 -0.108292D+02 -0.431362D+02
      5  -0.118230D+02 -0.758324D+00 -0.120328D+02 -0.163246D+02  0.387598D+02
      6   0.740175D+01  0.769505D+00  0.642413D+01  0.775176D+01 -0.840048D+01
               146           147           148           149           150 
      1  -0.150789D+02  0.152069D+02 -0.403907D+01  0.899378D+01 -0.346855D+00
      2   0.464325D+01 -0.106899D+02 -0.144466D+01 -0.309527D+01  0.631545D+00
      3   0.104356D+02 -0.451698D+01  0.548373D+01 -0.589851D+01 -0.284690D+00
      4   0.200047D+02 -0.830404D+01  0.143514D+02 -0.486086D+01  0.292153D+00
      5  -0.768453D+01  0.186123D+02 -0.754429D+00  0.184336D+01 -0.643575D+00
      6   0.449742D+01 -0.468380D+01  0.317797D+01 -0.210146D+00  0.207569D+01
               151           152           153           154           155 
      1   0.105682D+02 -0.910895D+00  0.741862D+01  0.187678D+03  0.316123D+02
      2  -0.885237D+01  0.231052D+01 -0.637917D+01 -0.852966D+02 -0.845278D+01
      3  -0.171584D+01 -0.139963D+01 -0.103945D+01 -0.102382D+03 -0.231595D+02
      4  -0.417471D+01  0.211883D+00 -0.605233D+01  0.507846D+02  0.462035D+02
      5   0.182840D+02 -0.494645D+01  0.104144D+02 -0.325915D+02 -0.878359D+01
      6  -0.399297D+01  0.294556D+01 -0.343186D+01 -0.145575D+01 -0.419611D+01
               156           157           158           159           160 
      1  -0.713608D+01  0.300101D+02  0.334595D+02  0.277539D+00 -0.942767D+01
      2   0.854979D+01 -0.597677D+01 -0.727915D+01  0.418235D+00  0.942203D+01
      3  -0.141372D+01 -0.240333D+02 -0.261804D+02 -0.695775D+00  0.564213D-02
      4  -0.607581D+01  0.528480D+02  0.366336D+02 -0.446317D+01 -0.539567D+01
      5   0.378923D+02 -0.539123D+01 -0.808296D+01  0.827274D+01  0.382015D+02
      6   0.342921D+01 -0.814710D+01 -0.478556D+01  0.624512D+01  0.458141D+01
               161           162           163           164           165 
      1  -0.117912D+01  0.221012D+02  0.472853D+02  0.919080D+01 -0.170583D+02
      2   0.118617D+01 -0.147460D+02 -0.318775D+02 -0.397601D+01  0.104463D+02
      3  -0.705727D-02 -0.735517D+01 -0.154079D+02 -0.521479D+01  0.661207D+01
      4  -0.328874D+01  0.911358D+01  0.139901D+02  0.760825D+01 -0.113955D+01
      5   0.905290D+01 -0.990119D+01 -0.311086D+02 -0.161484D+01  0.191332D+02
      6   0.569497D+01 -0.226547D+01 -0.543312D+01 -0.996570D+00  0.886319D+00
               166           167           168           169           170 
      1   0.141794D+02 -0.959328D+01  0.110006D+01  0.144475D+01  0.264055D+01
      2  -0.816005D+01  0.309800D+01 -0.119215D+01  0.197533D+01 -0.167862D+01
      3  -0.601939D+01  0.649527D+01  0.920899D-01 -0.342008D+01 -0.961930D+00
      4   0.450300D+01 -0.199814D+01 -0.878249D+01  0.134819D+01 -0.431654D+01
      5  -0.571650D+01 -0.831067D+01  0.907263D+00  0.126434D+02  0.103537D+01
      6  -0.214827D+01 -0.180937D+01  0.115075D+02 -0.109645D+01  0.991571D+01
               171           172           173           174           175 
      1  -0.306545D+02 -0.473561D+02 -0.466781D+01 -0.192827D+01 -0.123218D+02
      2  -0.113785D+02  0.287916D+02  0.275998D+01 -0.660251D+01  0.845163D+01
      3   0.420330D+02  0.185645D+02  0.190784D+01  0.853078D+01  0.387014D+01
      4  -0.956660D+00 -0.104282D+02 -0.458500D+01  0.109894D+01 -0.145067D+01
      5  -0.365602D+02  0.243104D+02  0.179626D+01 -0.150861D+02  0.564005D+01
      6  -0.218364D+01  0.460733D+01  0.318244D+01 -0.130271D+01  0.145817D+01
               176           177           178           179           180 
      1  -0.405538D+01 -0.224434D+00  0.135827D+02  0.182547D+01 -0.839847D+01
      2   0.265354D+01 -0.205536D+01 -0.126758D+02 -0.159483D+01  0.523155D+01
      3   0.140184D+01  0.227980D+01 -0.906925D+00 -0.230644D+00  0.316693D+01
      4  -0.490237D+00 -0.186469D+01  0.498927D+01  0.775277D+00 -0.190964D+01
      5  -0.153387D+01 -0.439239D+01 -0.129222D+02 -0.126356D+01  0.505402D+01
      6   0.110200D+01  0.204304D+01 -0.196831D+01  0.429999D+00  0.136450D+01
               181           182           183           184           185 
      1   0.302438D+02 -0.528552D+02 -0.731037D+01  0.404788D+02  0.247462D+02
      2  -0.148076D+02  0.420759D+02  0.359579D+01 -0.290365D+02 -0.244058D+02
      3  -0.154362D+02  0.107793D+02  0.371457D+01 -0.114423D+02 -0.340344D+00
      4  -0.123760D+02  0.349850D+02 -0.140599D+01  0.116156D+02 -0.329119D+02
      5  -0.887782D+01 -0.334054D+01  0.897833D+01 -0.892131D+00 -0.107699D+02
      6  -0.652912D+01  0.538860D+00  0.799359D+01 -0.698457D+01 -0.957436D+01
               186           187           188           189           190 
      1   0.649194D+01  0.524319D+01 -0.567838D+01  0.951767D+00  0.137577D+03
      2  -0.699883D+01 -0.125625D+02 -0.211821D+01 -0.756374D+01 -0.732766D+02
      3   0.506885D+00  0.731933D+01  0.779659D+01  0.661197D+01 -0.643004D+02
      4  -0.101452D+02 -0.104088D+02 -0.106633D+02  0.182095D+02  0.159081D+01
      5   0.546057D+01  0.276975D+02  0.153556D+02  0.993207D+01  0.229611D+01
      6   0.152683D+01  0.196680D+02  0.122246D+02  0.531016D+01 -0.303257D+01
               191           192           193           194           195 
      1   0.126690D+02  0.128240D+02  0.558978D+02 -0.440447D+02 -0.636309D+01
      2   0.472380D+00 -0.426143D+01 -0.219261D+02  0.440342D+02  0.111684D+02
      3  -0.131413D+02 -0.856257D+01 -0.339717D+02  0.104335D-01 -0.480530D+01
      4   0.143135D+02  0.135401D+01 -0.418292D+02  0.577010D+02  0.455702D+01
      5   0.271969D+01  0.501443D+01 -0.116376D+02  0.729946D+01  0.237323D+01
      6  -0.558801D-01  0.267489D+01 -0.326643D+01  0.845487D+01 -0.394827D+01
               196           197           198           199           200 
      1   0.157150D+02 -0.115941D+02  0.213958D+02 -0.112503D+03  0.209997D+02
      2  -0.856129D+01  0.107074D+02 -0.186369D+02  0.470271D+02 -0.210245D+02
      3  -0.715375D+01  0.886718D+00 -0.275891D+01  0.654760D+02  0.247634D-01
      4  -0.161842D+02  0.954042D+01  0.350393D+01  0.274834D+02 -0.303733D+02
      5   0.436443D+02  0.886516D+01  0.776365D+01 -0.533549D+01 -0.272477D+01
      6   0.151321D+01  0.537522D+01 -0.289563D+01  0.225873D+01 -0.472654D+01
               201           202           203           204           205 
      1  -0.611907D+01 -0.907213D+02  0.109369D+02 -0.306774D+01 -0.290494D+02
      2   0.113377D+01  0.548458D+02 -0.187341D+02 -0.440508D+00  0.166502D+02
      3   0.498529D+01  0.358755D+02  0.779716D+01  0.350824D+01  0.123993D+02
      4  -0.130046D+01  0.194956D+02 -0.183623D+02  0.328036D+01  0.866811D+01
      5   0.613075D+01 -0.257376D+01  0.193307D+01 -0.101083D+02  0.268851D+01
      6  -0.628008D+00  0.584574D+01 -0.691548D+01  0.590111D+01 -0.901591D+00
               206           207           208           209           210 
      1   0.105874D+02 -0.153020D+02  0.100171D+02  0.499401D+01 -0.168152D+01
      2  -0.104721D+02 -0.243672D+01 -0.796278D+01 -0.384075D+01 -0.993529D+00
      3  -0.115322D+00  0.177387D+02 -0.205432D+01 -0.115326D+01  0.267505D+01
      4  -0.976084D+00 -0.156604D+02  0.164537D+02  0.120398D+02 -0.243676D+00
      5  -0.199847D+02 -0.110273D+02  0.497757D+01 -0.134310D+01  0.205956D+02
      6   0.849607D+01 -0.111854D+01  0.723272D+00  0.216927D+01 -0.268016D+01
               211           212           213           214           215 
      1   0.173753D+02  0.318024D+01  0.442463D+01  0.172868D+01 -0.801850D+00
      2  -0.878835D+01 -0.807507D+00 -0.465058D+01 -0.322012D+01 -0.127860D+01
      3  -0.858695D+01 -0.237274D+01  0.225951D+00  0.149144D+01  0.208045D+01
      4   0.252676D+02  0.199939D+02  0.599162D+01  0.305619D+01  0.248033D+01
      5   0.562883D+01  0.451742D+01 -0.117509D+02  0.146923D+02  0.561812D+01
      6   0.589318D+00 -0.113045D+01  0.100508D+02  0.147613D+01  0.397201D+01
               216           217           218           219           220 
      1   0.428182D+01 -0.935138D+02 -0.579305D+01 -0.164146D+02 -0.234377D+02
      2  -0.446357D+01  0.529698D+02  0.201761D+00  0.972342D+01  0.986991D+01
      3   0.181757D+00  0.405441D+02  0.559128D+01  0.669114D+01  0.135678D+02
      4   0.667786D+01 -0.857436D+01  0.213496D+02 -0.353503D+01  0.412342D+00
      5   0.468048D+01 -0.159049D+02 -0.401503D+01  0.859247D+01 -0.959504D+01
      6   0.248836D+01  0.105022D+01  0.268409D+01 -0.339696D+01  0.999210D+00
               221           222           223           224           225 
      1   0.195840D+02 -0.158267D+02 -0.180063D+02 -0.970066D+01  0.145904D+02
      2  -0.116514D+02  0.118754D+02  0.789803D+01  0.802651D+01 -0.106320D+02
      3  -0.793267D+01  0.395131D+01  0.101082D+02  0.167415D+01 -0.395840D+01
      4   0.615848D+01 -0.134642D+02 -0.592792D+01 -0.828885D+01  0.341092D+02
      5  -0.135545D+02  0.559181D+02 -0.111520D+02  0.352432D+02  0.285249D+02
      6   0.681004D+01 -0.204598D+02  0.702048D+01 -0.140576D+02 -0.559703D+01
               226           227           228           229           230 
      1  -0.835138D+01  0.165659D+02  0.165492D+01  0.825753D+01 -0.510276D+02
      2   0.941141D+01 -0.182729D+02 -0.156229D+01 -0.905072D+01  0.647095D+02
      3  -0.106003D+01  0.170708D+01 -0.926305D-01  0.793188D+00 -0.136819D+02
      4  -0.216281D+01  0.512649D+01  0.757015D+00  0.281973D+01  0.129642D+02
      5  -0.794840D+00  0.131200D+01  0.974618D+00  0.278375D+00 -0.742392D+00
      6   0.816457D+00 -0.140792D+01 -0.262617D+01 -0.154573D+01  0.758337D+01
               231           232           233           234           235 
      1  -0.719438D+01  0.355398D+00 -0.671375D+01 -0.258100D+01  0.261257D+02
      2   0.691827D+01 -0.996247D+00  0.760375D+01  0.338969D+01 -0.389990D+01
      3   0.276112D+00  0.640849D+00 -0.889998D+00 -0.808695D+00 -0.222258D+02
      4   0.143569D+01 -0.159529D+00  0.261076D+01 -0.630113D+00  0.428061D+02
      5   0.147801D+01  0.188752D+01 -0.191879D+00  0.355498D+00  0.102244D+02
      6   0.827494D+01  0.267271D+00  0.509404D+01  0.217015D+01  0.617326D+01
               236           237           238           239           240 
      1   0.132452D+02  0.430191D+01  0.101024D+02  0.232069D+01  0.466834D+00
      2   0.353323D+01 -0.109473D+01  0.100945D+02  0.210182D+02  0.280934D+01
      3  -0.167784D+02 -0.320719D+01 -0.201969D+02 -0.233389D+02 -0.327618D+01
      4   0.373147D+02  0.946422D+01  0.445603D+02  0.545559D+02  0.119541D+02
      5   0.719877D+01  0.798509D+01  0.898395D+01  0.911408D+01  0.863810D+01
      6   0.522649D+01  0.488590D+01  0.758153D+01  0.947977D+01  0.792072D+01
               241           242           243           244           245 
      1   0.507252D+01  0.152341D+01 -0.130161D+00  0.125750D+02 -0.112139D+02
      2   0.109268D+01  0.297859D+01  0.188325D+01 -0.378116D+01  0.317518D+01
      3  -0.616520D+01 -0.450200D+01 -0.175309D+01 -0.879385D+01  0.803876D+01
      4   0.129736D+02  0.128221D+02  0.738662D+01 -0.187933D+02  0.149139D+02
      5   0.318198D+01  0.555926D+01  0.404910D+01 -0.213341D+01  0.116813D+01
      6   0.178745D+01  0.524672D+01  0.331915D+01  0.512083D+00 -0.466177D-01
               246           247           248           249           250 
      1  -0.674155D+00 -0.130483D+02 -0.276601D+01 -0.101707D+01 -0.606543D+00
      2   0.197358D+00  0.244548D+00  0.154129D+02  0.710359D+00  0.132098D-02
      3   0.476797D+00  0.128038D+02 -0.126469D+02  0.306708D+00  0.605222D+00
      4   0.545715D+00  0.259533D+02 -0.386462D+02 -0.377987D+01  0.254589D+01
      5   0.184982D+01  0.345386D+01 -0.622128D+01 -0.521737D+01  0.143471D+01
      6  -0.840888D+00 -0.131239D+01  0.300197D+01  0.456512D+01 -0.238488D+01
               251           252           253           254           255 
      1  -0.170739D+01 -0.147288D+01  0.200121D+03 -0.301812D+01  0.173366D+02
      2   0.215322D+01  0.218519D+01 -0.104943D+03 -0.374055D+00 -0.100854D+02
      3  -0.445827D+00 -0.712304D+00 -0.951774D+02  0.339217D+01 -0.725124D+01
      4  -0.532527D+01 -0.153294D+01 -0.202486D+02  0.156018D+02 -0.170624D+01
      5  -0.815014D+00 -0.875855D+00  0.194248D+02 -0.289028D+00  0.184706D+02
      6   0.206633D+01  0.131235D+01 -0.314936D+01  0.706178D+00 -0.229658D+01
               256           257           258           259           260 
      1   0.211308D+02  0.157025D+02  0.297920D+01  0.210983D+02  0.983232D+00
      2  -0.135032D+02 -0.802911D+01 -0.231222D+01 -0.125384D+02 -0.119719D+01
      3  -0.762757D+01 -0.767336D+01 -0.666982D+00 -0.855989D+01  0.213961D+00
      4   0.172692D+02  0.387644D+01  0.347871D+01 -0.200445D+01  0.379920D+01
      5   0.202861D+01  0.373889D+01  0.635596D+00  0.247485D+02 -0.320049D+01
      6   0.520803D+00 -0.537711D+00  0.165733D+01 -0.281603D+01  0.238046D+01
               261           262           263           264           265 
      1   0.174853D+02  0.783858D+01 -0.335401D+01 -0.109854D+02 -0.385619D+01
      2  -0.102974D+02 -0.447827D+01  0.246852D+01  0.476626D+01 -0.330460D-03
      3  -0.718792D+01 -0.336030D+01  0.885483D+00  0.621911D+01  0.385652D+01
      4  -0.438824D+01 -0.144660D+01 -0.131405D+01  0.420093D+01  0.161616D+02
      5   0.528743D+01 -0.106363D+02  0.291501D+01 -0.177617D+01  0.116794D+02
      6  -0.526757D+00  0.311108D+01 -0.626766D+00  0.190722D+01 -0.404445D+01
               266           267           268           269           270 
      1   0.984535D+00  0.237061D+01 -0.301497D+02  0.787088D+01  0.337439D+00
      2   0.325294D+01  0.130425D+01  0.166126D+02 -0.214937D+01 -0.614514D+01
      3  -0.423748D+01 -0.367486D+01  0.135371D+02 -0.572151D+01  0.580770D+01
      4  -0.200762D+02 -0.159510D+02  0.230466D+02 -0.206234D+02 -0.225649D+02
      5  -0.163527D+02 -0.222832D+02  0.293642D+02 -0.232759D+02 -0.632716D+02
      6   0.634707D+01  0.102979D+02 -0.851362D+01  0.101112D+02  0.174069D+02
               271           272           273           274           275 
      1  -0.443180D+01 -0.585304D+01  0.126201D+02 -0.899183D+01 -0.781219D+01
      2   0.212327D+01  0.504185D+01 -0.620249D+01  0.179109D+01  0.142796D+02
      3   0.230853D+01  0.811192D+00 -0.641761D+01  0.720074D+01 -0.646745D+01
      4   0.231494D+01 -0.673240D+01  0.203372D+01  0.201790D+02 -0.397813D+02
      5   0.707140D+01  0.305687D+01 -0.871784D+01 -0.802617D+01  0.235109D+02
      6  -0.202197D+01 -0.300002D+01  0.487772D+01  0.478519D+01 -0.140696D+02
               276           277           278           279 
      1   0.816734D+01  0.217164D+02  0.316023D+01 -0.107757D+02
      2  -0.861392D+01 -0.975220D+01 -0.471488D+01  0.338896D+01
      3   0.446581D+00 -0.119642D+02  0.155465D+01  0.738674D+01
      4   0.244374D+02 -0.156447D+02  0.243243D+02 -0.247733D+02
      5  -0.266514D+02  0.144480D+02 -0.251192D+02  0.334997D+02
      6   0.137404D+02 -0.632829D+01  0.133622D+02 -0.150701D+02
 Leave Link  716 at Tue Aug 17 19:42:53 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.290887D+03  0.795368D+01  0.152488D+02
      2   0.795368D+01  0.171705D+03  0.845508D+01
      3   0.152488D+02  0.845508D+01  0.118075D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.140133D+01 -0.291366D+02 -0.159116D+01
      2   0.629710D+02  0.191699D+02 -0.148189D+02
      3   0.388495D+02 -0.551119D+02 -0.166016D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.262658D+03 -0.524423D+02  0.660618D+02
      2  -0.111621D+03  0.538832D+02 -0.168512D+02
      3  -0.151037D+03 -0.144090D+01 -0.492106D+02
      4  -0.455446D+02  0.116379D+03  0.481810D+02
      5  -0.214993D+01  0.511664D+02 -0.384590D+02
      6   0.193581D+02 -0.518691D+02 -0.130837D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.343501D+02 -0.338655D+01 -0.325188D+01  0.420412D+02  0.899989D+01
      2  -0.338655D+01 -0.106791D+01 -0.950793D+00  0.899989D+01  0.950735D+01
      3  -0.325188D+01 -0.950793D+00 -0.127393D+00  0.592586D+01  0.239574D+01
                 6             7             8             9            10 
      1   0.592586D+01  0.422628D+01  0.126814D+01 -0.262123D+00  0.388011D+02
      2   0.239574D+01  0.126814D+01  0.119002D+01  0.142760D+01  0.383132D+01
      3   0.633849D+00 -0.262123D+00  0.142760D+01  0.475783D+00  0.369213D+01
                11            12            13            14            15 
      1   0.383132D+01  0.369213D+01 -0.422512D+02 -0.859288D+01 -0.600642D+01
      2   0.438194D+01  0.986298D+00 -0.859288D+01 -0.808404D+01 -0.251076D+01
      3   0.986298D+00  0.947397D-01 -0.600642D+01 -0.251076D+01 -0.689285D+00
                16            17            18            19            20 
      1  -0.297246D+01 -0.115716D+01  0.737782D+00  0.361261D+02  0.531438D+01
      2  -0.115716D+01 -0.564592D+00 -0.122375D+01  0.531438D+01  0.425944D+01
      3   0.737782D+00 -0.122375D+01 -0.423245D+00  0.336790D+01  0.102478D+01
                21            22            23            24            25 
      1   0.336790D+01  0.190643D+02  0.212199D+01  0.717472D+00  0.845209D+01
      2   0.102478D+01  0.212199D+01  0.429073D+01  0.311750D+00  0.213740D+00
      3   0.426766D+00  0.717472D+00  0.311750D+00  0.215882D+01 -0.704194D+00
                26            27            28            29            30 
      1   0.213740D+00 -0.704194D+00 -0.423840D+02 -0.455365D+01 -0.117078D+01
      2   0.852916D-01  0.332589D+01 -0.455365D+01 -0.268740D+01 -0.297172D+00
      3   0.332589D+01  0.906961D+00 -0.117078D+01 -0.297172D+00 -0.205418D+01
                31            32            33            34            35 
      1  -0.112302D+02 -0.596321D+00  0.225690D+00 -0.562350D+01  0.491167D+00
      2  -0.596321D+00 -0.854893D+01 -0.224727D+01  0.491167D+00 -0.220299D+01
      3   0.225690D+00 -0.224727D+01 -0.685134D+00 -0.562967D+01 -0.128949D+01
                36            37            38            39            40 
      1  -0.562967D+01 -0.815202D+01  0.173315D+00 -0.277793D+00 -0.572501D+01
      2  -0.128949D+01  0.173315D+00 -0.842664D+01 -0.138816D+01 -0.191923D+01
      3  -0.153381D+01 -0.277793D+00 -0.138816D+01 -0.213912D+01  0.556523D+00
                41            42            43            44            45 
      1  -0.191923D+01  0.556523D+00 -0.119652D+01  0.992578D+00 -0.404311D+01
      2   0.332344D+01  0.143355D+01  0.992578D+00  0.313595D+00 -0.228153D+01
      3   0.143355D+01 -0.498471D+00 -0.404311D+01 -0.228153D+01 -0.283752D+01
                46            47            48            49            50 
      1   0.124756D+02  0.186784D+01  0.173101D+01  0.114687D+00 -0.688971D+00
      2   0.186784D+01  0.590935D+01  0.207364D+01 -0.688971D+00  0.106012D+00
      3   0.173101D+01  0.207364D+01  0.239399D+01 -0.114438D+00  0.961880D+00
                51            52            53            54            55 
      1  -0.114438D+00  0.144884D+01  0.397011D+00  0.164125D+01 -0.132456D+02
      2   0.961880D+00  0.397011D+00  0.220541D+01 -0.311174D+01 -0.317883D+01
      3  -0.113479D+01  0.164125D+01 -0.311174D+01 -0.105062D+01 -0.185570D+01
                56            57            58            59            60 
      1  -0.317883D+01 -0.185570D+01 -0.219170D+01  0.443727D+00 -0.254261D+00
      2  -0.895116D+01 -0.176645D+01  0.443727D+00 -0.984868D+00 -0.918872D+00
      3  -0.176645D+01 -0.218544D+01 -0.254261D+00 -0.918872D+00  0.127353D+01
                61            62            63            64            65 
      1  -0.182951D+01 -0.468253D+00 -0.161716D+01 -0.180475D+01  0.227040D+01
      2  -0.468253D+00 -0.263110D+01  0.301549D+01  0.227040D+01 -0.124962D+01
      3  -0.161716D+01  0.301549D+01  0.669246D+00 -0.999916D-02  0.164786D+00
                66            67            68            69            70 
      1  -0.999916D-02  0.311528D+01 -0.297117D+01 -0.672654D-01 -0.145999D+00
      2   0.164786D+00 -0.297117D+01  0.601324D+01  0.239220D+00 -0.107698D+00
      3  -0.135166D+00 -0.672654D-01  0.239220D+00  0.771607D+00 -0.127011D-01
                71            72            73            74            75 
      1  -0.107698D+00 -0.127011D-01 -0.516506D+01 -0.300451D+01 -0.115132D+01
      2   0.757331D+00  0.231369D+00 -0.300451D+01 -0.305871D+01 -0.880542D+00
      3   0.231369D+00  0.648241D-01 -0.115132D+01 -0.880542D+00 -0.765974D+00
                76            77            78            79            80 
      1  -0.326207D+01 -0.413060D+01 -0.118340D+01 -0.153404D+01 -0.122047D+01
      2  -0.413060D+01 -0.613155D+01 -0.156171D+01 -0.122047D+01 -0.138349D+01
      3  -0.118340D+01 -0.156171D+01 -0.120119D+01 -0.963861D-02 -0.700756D+00
                81            82            83            84            85 
      1  -0.963861D-02  0.152497D+01 -0.184640D+01 -0.222634D+00 -0.906925D+00
      2  -0.700756D+00 -0.184640D+01  0.265625D+01  0.326312D+00  0.203578D+01
      3  -0.371699D+00 -0.222634D+00  0.326312D+00  0.345102D+00  0.422575D+00
                86            87            88            89            90 
      1   0.203578D+01  0.422575D+00 -0.198919D-01  0.168322D+00  0.162548D-01
      2  -0.945921D+01 -0.141267D+01  0.168322D+00 -0.140355D+01 -0.566810D+00
      3  -0.141267D+01 -0.112640D+01  0.162548D-01 -0.566810D+00 -0.303185D+00
                91            92            93            94            95 
      1   0.182256D+02  0.321652D+01 -0.179647D+01  0.251229D+01  0.284003D+01
      2   0.321652D+01  0.167910D+01 -0.767331D+00  0.284003D+01 -0.126825D+01
      3  -0.179647D+01 -0.767331D+00  0.298441D+01 -0.372320D+00  0.312283D+01
                96            97            98            99           100 
      1  -0.372320D+00 -0.621145D+01 -0.130723D+01  0.562930D+01  0.756174D+01
      2   0.312283D+01 -0.130723D+01  0.189002D+01  0.215405D+01 -0.585939D+00
      3   0.127179D+01  0.562930D+01  0.215405D+01 -0.289045D+00  0.178887D+01
               101           102           103           104           105 
      1  -0.585939D+00  0.178887D+01  0.249955D+01 -0.251834D+01  0.108487D+01
      2  -0.212382D+01  0.124711D+01 -0.251834D+01  0.138925D+01 -0.299379D+01
      3   0.124711D+01 -0.316766D+01  0.108487D+01 -0.299379D+01 -0.186281D+01
               106           107           108           109           110 
      1   0.191118D+01  0.115264D+01 -0.216733D+01  0.286020D+01  0.155043D+01
      2   0.115264D+01 -0.201522D+01 -0.300240D+01  0.155043D+01  0.737244D+00
      3  -0.216733D+01 -0.300240D+01  0.273902D+01  0.334028D+00 -0.335445D+00
               111           112           113           114           115 
      1   0.334028D+00  0.109409D+01 -0.619483D+00  0.288194D+00  0.107368D+02
      2  -0.335445D+00 -0.619483D+00  0.107726D+00 -0.110072D+00  0.114473D+01
      3  -0.704758D+00  0.288194D+00 -0.110072D+00 -0.582108D+00 -0.472144D+01
               116           117           118           119           120 
      1   0.114473D+01 -0.472144D+01 -0.258515D+01 -0.166446D+01 -0.139594D+01
      2   0.501583D+00 -0.559794D+00 -0.166446D+01 -0.966468D+00 -0.385511D+00
      3  -0.559794D+00  0.518228D+00 -0.139594D+01 -0.385511D+00 -0.152164D+01
               121           122           123           124           125 
      1  -0.503670D+01 -0.182809D+01 -0.991595D+00 -0.223521D+01 -0.512118D+00
      2  -0.182809D+01 -0.265744D+01 -0.205693D+01 -0.512118D+00 -0.194938D+01
      3  -0.991595D+00 -0.205693D+01 -0.199402D+01 -0.247096D+01 -0.188265D+01
               126           127           128           129           130 
      1  -0.247096D+01  0.725207D+00  0.312146D+00 -0.126301D+01 -0.168067D+00
      2  -0.188265D+01  0.312146D+00  0.112071D+01 -0.991195D+00  0.297631D+00
      3  -0.377184D+01 -0.126301D+01 -0.991195D+00  0.227061D+01 -0.143065D+00
               131           132           133           134           135 
      1   0.297631D+00 -0.143065D+00 -0.175737D+01  0.228740D+00  0.318999D+00
      2   0.147962D+01 -0.131710D+01  0.228740D+00 -0.198128D+01  0.278008D+01
      3  -0.131710D+01  0.182527D+01  0.318999D+00  0.278008D+01 -0.697914D+01
               136           137           138           139           140 
      1  -0.211490D+00  0.563168D+00  0.509531D+00  0.118578D+01 -0.514683D+00
      2   0.563168D+00  0.591995D+00 -0.888560D-01 -0.514683D+00  0.423884D+01
      3   0.509531D+00 -0.888560D-01  0.609655D+00 -0.144459D+00  0.165674D+01
               141           142           143           144           145 
      1  -0.144459D+00  0.148705D+01 -0.838698D+00  0.195663D+00 -0.127009D+02
      2   0.165674D+01 -0.838698D+00  0.283087D+01  0.168365D+01  0.241179D+01
      3   0.164426D+01  0.195663D+00  0.168365D+01  0.215440D+01 -0.220251D+01
               146           147           148           149           150 
      1   0.241179D+01 -0.220251D+01  0.848564D+00 -0.115301D+01 -0.700278D-03
      2  -0.152545D+01  0.556722D+00 -0.115301D+01  0.164781D+00  0.323731D-01
      3   0.556722D+00 -0.141994D+01 -0.700278D-03  0.323731D-01  0.573993D-01
               151           152           153           154           155 
      1  -0.146556D+01  0.167762D+00 -0.141746D+01 -0.176850D+02 -0.352904D+01
      2   0.167762D+00  0.754431D-01  0.551748D+00 -0.352904D+01 -0.262010D+01
      3  -0.141746D+01  0.551748D+00 -0.977445D+00  0.101621D+01  0.722522D+00
               156           157           158           159           160 
      1   0.101621D+01 -0.438228D+01 -0.443917D+01  0.205048D+00  0.184121D+01
      2   0.722522D+00 -0.443917D+01 -0.289426D+01  0.453072D+00  0.538984D+00
      3  -0.287533D+01  0.205048D+00  0.453072D+00 -0.571983D+00 -0.283954D+01
               161           162           163           164           165 
      1   0.538984D+00 -0.283954D+01 -0.108153D+02 -0.143478D+01  0.424864D+01
      2  -0.126530D+00 -0.877714D+00 -0.143478D+01  0.268187D+00  0.477506D-01
      3  -0.877714D+00  0.382789D+00  0.424864D+01  0.477506D-01 -0.102445D+01
               166           167           168           169           170 
      1  -0.304844D+01  0.169776D+00  0.653363D+00  0.136160D+01 -0.340682D+00
      2   0.169776D+00  0.310239D+00  0.123069D+01 -0.340682D+00  0.550981D+00
      3   0.653363D+00  0.123069D+01 -0.177089D+00 -0.368686D+00 -0.395603D+00
               171           172           173           174           175 
      1  -0.368686D+00  0.100064D+02  0.947154D+00 -0.236081D+01  0.250873D+01
      2  -0.395603D+00  0.947154D+00  0.187045D+00 -0.179928D+00 -0.522138D-01
      3   0.641166D+01 -0.236081D+01 -0.179928D+00  0.261317D+01 -0.675264D+00
               176           177           178           179           180 
      1  -0.522138D-01 -0.675264D+00 -0.571273D+01 -0.418263D+00  0.229410D+01
      2   0.553081D-01  0.523854D+00 -0.418263D+00  0.893896D+00  0.329611D+00
      3   0.523854D+00  0.770059D+00  0.229410D+01  0.329611D+00  0.657179D-01
               181           182           183           184           185 
      1   0.113325D+02  0.498829D+00  0.612697D+00  0.625643D+01  0.110958D+01
      2   0.498829D+00  0.981916D+01  0.730773D+00  0.110958D+01 -0.500203D+01
      3   0.612697D+00  0.730773D+00  0.191072D+01 -0.773384D-01 -0.128405D+01
               186           187           188           189           190 
      1  -0.773384D-01  0.129371D+01 -0.922458D+00  0.434026D+01  0.368195D+02
      2  -0.128405D+01 -0.922458D+00 -0.764260D+00  0.264685D+01  0.260137D+01
      3   0.902398D+00  0.434026D+01  0.264685D+01  0.239076D+01  0.305810D+01
               191           192           193           194           195 
      1   0.260137D+01  0.305810D+01  0.166907D+02  0.623560D+00  0.515647D+00
      2   0.535774D+01  0.567131D+00  0.623560D+00  0.127962D+02  0.157420D+01
      3   0.567131D+00  0.345275D+01  0.515647D+00  0.157420D+01  0.583249D+00
               196           197           198           199           200 
      1   0.588420D+01 -0.847898D+00  0.671830D+01 -0.373919D+02 -0.468841D+01
      2  -0.847898D+00  0.256476D+01  0.118021D+01 -0.468841D+01 -0.749127D+01
      3   0.671830D+01  0.118021D+01  0.213866D+01 -0.419774D+01 -0.104046D+01
               201           202           203           204           205 
      1  -0.419774D+01 -0.194059D+02 -0.770062D+00 -0.182919D+01 -0.807702D+01
      2  -0.104046D+01 -0.770062D+00 -0.544993D+01  0.967248D-01 -0.300130D+00
      3  -0.338031D+00 -0.182919D+01  0.967248D-01 -0.244986D+01 -0.820337D+00
               206           207           208           209           210 
      1  -0.300130D+00 -0.820337D+00 -0.808593D+01  0.825587D+00 -0.778904D+00
      2  -0.607213D+00 -0.343973D+01  0.825587D+00 -0.171019D+01 -0.310542D+00
      3  -0.343973D+01 -0.164699D+01 -0.778904D+00 -0.310542D+00 -0.348399D+00
               211           212           213           214           215 
      1   0.176240D+01  0.145403D+01  0.558032D+00 -0.602495D+00  0.219890D+00
      2   0.145403D+01  0.200728D+01  0.618844D+00  0.219890D+00 -0.124502D-01
      3   0.558032D+00  0.618844D+00 -0.770253D+00  0.483081D+00  0.501057D+00
               216           217           218           219           220 
      1   0.483081D+00 -0.350760D+01 -0.153119D+01 -0.748521D+00 -0.354017D+01
      2   0.501057D+00 -0.153119D+01  0.257380D+01 -0.440581D+00 -0.837359D-01
      3   0.154808D+00 -0.748521D+00 -0.440581D+00  0.130327D+01 -0.104536D+01
               221           222           223           224           225 
      1  -0.837359D-01 -0.104536D+01 -0.962333D+00 -0.587750D+00 -0.110423D+01
      2  -0.108837D+00 -0.165731D+01 -0.587750D+00 -0.107956D+01  0.337859D+01
      3  -0.165731D+01  0.488507D+01 -0.110423D+01  0.337859D+01  0.234681D+01
               226           227           228           229           230 
      1  -0.121331D+01  0.156312D+01  0.131063D+00  0.546984D+00 -0.141926D+01
      2   0.156312D+01 -0.274782D+01 -0.287238D+00 -0.141926D+01  0.952247D+01
      3   0.131063D+00 -0.287238D+00 -0.303660D+00 -0.299224D+00  0.117110D+01
               231           232           233           234           235 
      1  -0.299224D+00 -0.665478D-01 -0.172649D+00  0.127554D+00  0.584984D+01
      2   0.117110D+01 -0.172649D+00  0.124687D+01  0.542736D+00  0.392518D+01
      3   0.103447D+01  0.127554D+00  0.542736D+00  0.320883D+00  0.132310D+01
               236           237           238           239           240 
      1   0.392518D+01  0.132310D+01  0.436817D+01  0.491644D+01  0.128818D+01
      2   0.370201D+01  0.947506D+00  0.491644D+01  0.651738D+01  0.149090D+01
      3   0.947506D+00  0.908958D+00  0.128818D+01  0.149090D+01  0.122847D+01
               241           242           243           244           245 
      1   0.162274D+01  0.139301D+01  0.194123D+00  0.222200D+01 -0.242962D+01
      2   0.139301D+01  0.153430D+01  0.731572D+00 -0.242962D+01  0.141973D+01
      3   0.194123D+00  0.731572D+00  0.401502D+00 -0.217261D+00 -0.351251D-01
               246           247           248           249           250 
      1  -0.217261D+00 -0.370914D+01  0.321132D+01  0.246101D+00 -0.419463D+00
      2  -0.351251D-01  0.321132D+01 -0.597701D+01 -0.615998D+00  0.271489D+00
      3   0.165170D+00  0.246101D+00 -0.615998D+00 -0.738580D+00  0.140021D+00
               251           252           253           254           255 
      1   0.271489D+00  0.140021D+00  0.155159D+02 -0.427054D+00  0.140493D+01
      2  -0.923064D+00 -0.123171D+00 -0.427054D+00  0.972077D+00 -0.273006D-01
      3  -0.123171D+00 -0.121528D+00  0.140493D+01 -0.273006D-01  0.124019D+01
               256           257           258           259           260 
      1   0.187673D+01  0.117972D+01  0.189877D+00  0.178712D+01 -0.314618D-01
      2   0.117972D+01  0.401936D+00  0.299597D+00 -0.314618D-01  0.322577D+00
      3   0.189877D+00  0.299597D+00  0.141591D-01  0.173760D+01 -0.328584D+00
               261           262           263           264           265 
      1   0.173760D+01  0.219504D+00  0.115447D+00 -0.979372D+00 -0.487745D+00
      2  -0.328584D+00  0.115447D+00 -0.179928D+00  0.237816D+00  0.128477D+01
      3   0.372774D+00 -0.979372D+00  0.237816D+00 -0.459100D+00  0.990629D+00
               266           267           268           269           270 
      1   0.128477D+01  0.990629D+00 -0.377514D+01  0.179335D+01  0.239657D+01
      2  -0.176805D+01 -0.143899D+01  0.179335D+01 -0.175333D+01 -0.209535D+01
      3  -0.143899D+01 -0.195381D+01  0.239657D+01 -0.209535D+01 -0.581156D+01
               271           272           273           274           275 
      1  -0.967855D+00  0.272434D+00  0.662443D+00 -0.114026D+01  0.160898D+01
      2   0.272434D+00 -0.829293D+00  0.539482D+00  0.160898D+01 -0.389737D+01
      3   0.662443D+00  0.539482D+00 -0.114925D+01 -0.663748D+00  0.251246D+01
               276           277           278           279 
      1  -0.663748D+00  0.255444D+01 -0.120863D+01  0.121772D+01
      2   0.251246D+01 -0.120863D+01  0.243506D+01 -0.260143D+01
      3  -0.261861D+01  0.121772D+01 -0.260143D+01  0.360280D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.341150D+01 -0.295542D+01  0.310753D+00 -0.740077D+01 -0.630421D+01
      2  -0.798006D+01 -0.363407D+01 -0.139844D+01  0.110989D+02  0.692999D+00
      3  -0.258578D+02  0.197981D+02  0.659049D+00  0.376400D+02  0.156252D+02
                 6             7             8             9            10 
      1  -0.152611D+01  0.275381D+01  0.640603D+01  0.120238D+01 -0.957863D+00
      2  -0.425360D+00 -0.169845D+02 -0.213186D+01 -0.225955D+01  0.191766D+02
      3   0.566015D+01  0.201026D+01  0.634614D+01 -0.271365D+00 -0.164381D+01
                11            12            13            14            15 
      1  -0.541545D+01 -0.681995D+00 -0.391270D+01 -0.176314D+01  0.364233D+00
      2  -0.914608D+00 -0.379167D+01 -0.178642D+02 -0.583268D+01 -0.290208D+01
      3   0.242526D+02  0.274122D+01  0.410428D+02  0.239510D+02  0.840694D+01
                16            17            18            19            20 
      1   0.299308D+01  0.726737D+01  0.190942D+01 -0.436348D+01  0.453069D+00
      2  -0.196554D+02 -0.274384D+01 -0.285158D+01  0.142152D+02  0.586666D+01
      3   0.495955D+01  0.817540D+01  0.189119D+01  0.271971D+02 -0.170033D+02
                21            22            23            24            25 
      1  -0.527420D+00 -0.601034D+00 -0.321286D+01 -0.261481D+01  0.616606D+01
      2   0.117879D+01  0.118935D+02  0.199370D+01 -0.673968D+00 -0.153568D+02
      3   0.129382D+00  0.921117D+01  0.116122D+01  0.264921D+00 -0.592851D+00
                26            27            28            29            30 
      1   0.284457D+01 -0.209596D+01 -0.561529D-01 -0.117319D+01 -0.417118D+00
      2  -0.624092D+01 -0.292229D+01 -0.230637D+02 -0.376890D+01  0.542313D+00
      3  -0.375424D+01  0.156332D+01 -0.444675D+01  0.531015D+01  0.725499D+00
                31            32            33            34            35 
      1  -0.608529D+01  0.280629D+01  0.290416D+01 -0.178256D+01  0.127677D+02
      2  -0.609917D+01  0.191670D+01  0.169572D+00 -0.132632D+02 -0.211912D+00
      3   0.207297D+02 -0.220679D+01 -0.297087D+01  0.157810D+01  0.352305D+00
                36            37            38            39            40 
      1   0.332096D+01 -0.875581D+00  0.466379D+01 -0.312892D+01  0.398450D+01
      2  -0.908344D+00 -0.228458D+01  0.295396D+00  0.150396D+01 -0.302647D+01
      3  -0.163635D+01  0.181869D+02 -0.324375D+01 -0.829298D+00  0.224794D+01
                41            42            43            44            45 
      1  -0.348967D+01 -0.204058D+01 -0.140160D+02  0.461791D+01 -0.113734D+01
      2  -0.413321D+01  0.105193D+01 -0.108878D+02  0.628301D+01 -0.912952D+00
      3   0.641784D+01  0.274991D+01 -0.681131D+00  0.185824D+01  0.498910D+01
                46            47            48            49            50 
      1   0.173841D+01 -0.533886D+00  0.366114D+01  0.311700D+00  0.320581D+01
      2   0.851887D+01  0.318987D+01  0.221205D+01  0.309837D+01  0.279543D+01
      3  -0.302741D+02 -0.239856D+02 -0.516062D+01 -0.657018D+01 -0.185486D+02
                51            52            53            54            55 
      1  -0.285254D+01  0.100765D+02 -0.190891D+01  0.292793D+01  0.230174D+01
      2   0.116264D+01 -0.153217D+02 -0.742697D-01  0.182175D+00  0.410275D+01
      3  -0.346050D+01 -0.708699D+01 -0.520221D+01 -0.609931D+01 -0.251327D+02
                56            57            58            59            60 
      1   0.343181D+01  0.571032D+01 -0.123026D+01  0.320842D+01 -0.235418D+01
      2   0.606263D+00 -0.360676D+01  0.325922D+01  0.178140D+01  0.377936D+01
      3  -0.113314D+02 -0.301584D+01 -0.111528D+01 -0.171668D+02 -0.534897D+00
                61            62            63            64            65 
      1   0.976737D+01 -0.138908D+01  0.135290D+01 -0.313980D+00 -0.679640D+00
      2  -0.197486D+02  0.407739D+01  0.239179D+00  0.354258D+00  0.132621D+00
      3  -0.431473D+01 -0.155742D+01 -0.119072D+02 -0.203050D+01  0.169763D+01
                66            67            68            69            70 
      1   0.914123D+00  0.295198D+00 -0.140423D+01 -0.348294D+01  0.386306D+00
      2   0.113939D+00  0.470263D+00 -0.103126D+01 -0.147136D+01 -0.205584D+01
      3   0.362738D-01  0.573440D+01  0.377622D+01  0.773540D+00  0.130723D+00
                71            72            73            74            75 
      1   0.155331D+01  0.159314D+00  0.208812D+00  0.123988D+01 -0.208331D+01
      2   0.990250D+00  0.103361D-01 -0.360450D+01 -0.128932D+01  0.108829D+01
      3   0.869140D+00 -0.662103D+00  0.774569D+01  0.241751D+00  0.778029D+00
                76            77            78            79            80 
      1   0.135994D+01  0.258202D+01 -0.278198D+01  0.288630D+01  0.189829D+01
      2  -0.149747D+01 -0.128671D+01  0.193568D+01 -0.308430D+01 -0.346695D+00
      3   0.174696D+01 -0.212314D+01 -0.980231D-01  0.171347D+01 -0.173119D+00
                81            82            83            84            85 
      1   0.979789D-01  0.133575D+01 -0.161514D+01  0.147814D+01 -0.555692D+00
      2   0.679590D+00  0.153006D+01 -0.127247D+01  0.806406D+00 -0.109099D+01
      3  -0.866950D+00 -0.601876D+01  0.297055D+01  0.230450D+00  0.533262D+01
                86            87            88            89            90 
      1   0.392531D+01 -0.379155D+01 -0.132577D+01  0.221074D+01 -0.383415D+00
      2   0.177946D+01 -0.980378D+00 -0.407175D+00 -0.517289D+00 -0.330641D+00
      3  -0.327841D+01 -0.961216D+00 -0.242700D+00 -0.853959D+00  0.632850D+00
                91            92            93            94            95 
      1  -0.911536D+00 -0.162475D+01  0.446932D+00  0.895561D+00  0.176786D+00
      2   0.186697D+02  0.382769D+01 -0.934281D+01  0.325361D+01 -0.760307D+01
      3   0.510859D+01  0.355078D+00 -0.115660D+01  0.183217D+02 -0.676224D+01
                96            97            98            99           100 
      1  -0.317191D+01 -0.365926D+00  0.409496D+01 -0.375277D+01 -0.165689D+01
      2  -0.438815D+01 -0.357040D+02 -0.796995D+01  0.420797D+01  0.255755D+01
      3   0.125781D+02 -0.296558D+01  0.105306D+02  0.772268D+01  0.142539D+02
               101           102           103           104           105 
      1   0.287232D+01  0.242456D+01  0.796234D+00  0.328879D+01  0.594861D+01
      2  -0.481884D+01  0.158702D+02 -0.163793D+01  0.783991D+01  0.876901D+01
      3  -0.160029D+02  0.814298D+01 -0.927742D+01 -0.175658D+00 -0.122664D+02
               106           107           108           109           110 
      1  -0.648818D+00  0.102877D+02  0.825630D-01  0.409866D+01  0.143625D+01
      2   0.722431D+01  0.126532D+02 -0.123870D+02 -0.193098D+02 -0.381907D+01
      3   0.636405D+01 -0.818573D+01 -0.165106D+02 -0.288176D+01  0.138134D+02
               111           112           113           114           115 
      1   0.560115D+01  0.113065D+02  0.540040D+01 -0.150426D+02  0.345390D+01
      2   0.127893D+01 -0.144669D+01 -0.982238D+00 -0.366133D+01  0.161267D+02
      3   0.958898D+00  0.113626D+02  0.100116D+02 -0.216357D+01  0.400706D+01
               116           117           118           119           120 
      1  -0.397567D+01 -0.223636D+01  0.760628D+00  0.119426D+01  0.282342D+00
      2  -0.726223D+00 -0.216206D+01  0.301372D+01  0.208921D+00  0.531665D+01
      3  -0.340643D+01 -0.160065D+01 -0.714197D+01 -0.527335D+01 -0.146479D+01
               121           122           123           124           125 
      1   0.371397D+00  0.238813D+01  0.434925D+00  0.237862D-01  0.270065D+01
      2  -0.116744D+01  0.534572D+01  0.648431D+01  0.507449D+01  0.575595D+01
      3  -0.244880D+01 -0.939560D+01 -0.735957D+01 -0.115741D+01 -0.799614D+01
               126           127           128           129           130 
      1   0.801459D+00  0.960925D+00 -0.141617D+01 -0.214896D+01 -0.245140D+00
      2   0.101261D+02  0.742296D+01  0.332270D+01 -0.888092D+01  0.663195D+00
      3  -0.725747D+01  0.400158D+01  0.509707D+01 -0.597522D+01  0.344478D+01
               131           132           133           134           135 
      1  -0.282413D+00 -0.230328D+01 -0.147627D+01  0.102946D+01  0.633683D+01
      2   0.513257D+01 -0.687106D+01 -0.592178D+01 -0.955087D+01  0.249702D+02
      3   0.607337D+01 -0.586809D+01 -0.296588D+01 -0.713946D+01  0.128342D+02
               136           137           138           139           140 
      1  -0.196011D+01 -0.766168D+00 -0.152004D+01  0.809737D-01 -0.761469D+01
      2  -0.289202D+01  0.902440D+00 -0.157289D+01  0.100572D+01 -0.662074D+01
      3   0.450345D+01  0.377638D+01  0.134495D+01  0.269625D+01  0.174693D+02
               141           142           143           144           145 
      1  -0.691015D+01 -0.258233D-01 -0.491457D+01 -0.753717D+01  0.560885D+00
      2  -0.614238D+01 -0.147667D+01 -0.664900D+01 -0.778572D+01 -0.679287D+01
      3   0.753184D+01  0.122557D+01  0.113509D+02  0.883950D+01 -0.914678D+01
               146           147           148           149           150 
      1   0.158686D+01  0.175201D+01  0.124594D+01 -0.215401D+00 -0.112224D+01
      2   0.204159D+00  0.542434D+01  0.524378D+00 -0.178772D+01 -0.226709D+00
      3  -0.599030D+01 -0.653815D+00 -0.242477D+01 -0.557720D+00  0.117231D+01
               151           152           153           154           155 
      1   0.148179D+01 -0.346517D+00  0.370371D+00 -0.322152D+01 -0.123427D+01
      2   0.294882D+01 -0.171647D+01  0.225227D+01  0.939180D+01  0.286280D+00
      3  -0.141637D+01  0.925547D+00  0.492514D+00 -0.501906D+01 -0.239852D+02
               156           157           158           159           160 
      1  -0.574463D+01 -0.800899D+01 -0.326509D+01 -0.150559D+00 -0.308698D+01
      2   0.217418D+02 -0.181352D+01  0.121009D+01  0.578351D+01  0.855619D+01
      3   0.104129D+01 -0.152398D+02 -0.145564D+02  0.154315D+01  0.254023D+00
               161           162           163           164           165 
      1   0.277808D+01  0.321355D+00 -0.447727D+01 -0.222179D+01  0.409233D+00
      2   0.391944D+01 -0.138913D+01  0.698110D+01  0.327919D+01  0.159100D+01
      3   0.263404D+01 -0.220638D+01 -0.490165D+01 -0.357172D+01 -0.397672D-01
               166           167           168           169           170 
      1  -0.455402D+01 -0.601337D+00  0.430532D+01  0.211612D+01  0.727538D+01
      2   0.353672D+01 -0.511311D+01  0.134963D+01 -0.949814D+01  0.915622D+00
      3   0.185273D+01 -0.574016D-01  0.545362D+01 -0.108769D+01  0.227359D+01
               171           172           173           174           175 
      1   0.310935D+01  0.580934D+01  0.221148D+01 -0.116453D+01  0.546137D+01
      2  -0.206338D+02 -0.183811D+02 -0.227866D+01 -0.467609D+01 -0.435910D+01
      3  -0.797316D+00  0.301781D+01  0.183078D+01 -0.102092D+01  0.495476D+01
               176           177           178           179           180 
      1   0.883491D+00 -0.268613D+01 -0.138263D+01 -0.990269D+00  0.643093D+00
      2  -0.210906D+01 -0.151632D+01 -0.580454D+00  0.196281D+00 -0.123055D+01
      3   0.175797D+00  0.399794D+00 -0.153366D+01 -0.759301D+00  0.702444D+00
               181           182           183           184           185 
      1  -0.283144D+00 -0.118925D+01 -0.521707D+01  0.330749D+01 -0.215742D+01
      2  -0.114762D+01  0.111928D+01  0.591718D+01  0.273612D+01 -0.692732D+01
      3   0.213601D+02 -0.134762D+02  0.102094D+00 -0.432736D+01  0.234830D+02
               186           187           188           189           190 
      1  -0.188144D+01 -0.144402D+02  0.556132D+01 -0.266556D+01 -0.183339D+01
      2   0.130471D+01 -0.109955D+01  0.905314D+01  0.387205D+01  0.105091D+02
      3   0.403494D+01 -0.506638D+00  0.461418D+01  0.229421D+01  0.960114D+01
               191           192           193           194           195 
      1  -0.542821D+01 -0.146111D+01 -0.635813D+01 -0.432915D+01  0.305806D+01
      2  -0.285326D+01  0.102153D+01 -0.185424D+01  0.472644D+01  0.109290D+01
      3   0.178379D+02  0.454406D+01  0.424071D+02 -0.209140D+02  0.152207D+01
               196           197           198           199           200 
      1   0.124652D+01  0.110626D+02  0.278044D+01 -0.130835D+00  0.372030D+01
      2   0.196989D+01  0.265559D+01  0.329832D+01 -0.136696D+02  0.102004D+01
      3   0.959289D+01  0.105371D+01 -0.723826D+00  0.732589D+01 -0.152648D+02
               201           202           203           204           205 
      1   0.300731D+00  0.993397D+00  0.174196D+01 -0.291907D+01  0.288347D+01
      2   0.247698D+01 -0.129408D+01  0.242955D+01 -0.437267D+01 -0.214653D+02
      3  -0.193640D+01 -0.736669D+01  0.468291D+00 -0.315569D+01 -0.438044D+01
               206           207           208           209           210 
      1   0.419342D+01  0.864258D+00  0.171190D+01  0.501754D+01  0.147953D+01
      2  -0.122408D+02 -0.586760D+01 -0.445075D+00  0.413022D+01  0.113297D+02
      3  -0.515920D+01  0.540918D+01 -0.149135D+02 -0.347231D+02 -0.568696D+01
               211           212           213           214           215 
      1   0.570938D+00  0.145974D+01 -0.597085D+01 -0.274257D+01  0.508312D+00
      2   0.165538D+01  0.225426D+01 -0.632790D+01 -0.398771D+01  0.487422D+01
      3   0.234121D+01 -0.769231D+01 -0.253659D+01 -0.235802D+01 -0.467650D+01
               216           217           218           219           220 
      1  -0.127720D+01 -0.222104D+01 -0.108889D+01  0.130617D+01  0.786245D+00
      2   0.968796D+00 -0.645205D+01 -0.292855D+01  0.716681D+01 -0.421083D+01
      3  -0.256566D+01  0.294776D+02 -0.976076D+01  0.662619D+01 -0.130984D+01
               221           222           223           224           225 
      1  -0.743264D+00  0.682594D+01 -0.935772D+01  0.847556D+01  0.445142D+01
      2  -0.657724D+01  0.294498D+02 -0.679475D+01  0.196316D+02  0.145986D+02
      3  -0.176222D+02  0.810576D+01  0.526906D+01  0.575893D+01 -0.249140D+02
               226           227           228           229           230 
      1   0.513349D+00 -0.444246D+00  0.169871D+01  0.374674D+00  0.193561D+00
      2   0.111207D+01 -0.965136D+00  0.153294D+00 -0.107656D+01  0.306522D+01
      3  -0.857141D+01  0.757957D+01  0.503321D+00  0.661833D+01 -0.199396D+02
               231           232           233           234           235 
      1  -0.449231D+01 -0.101783D+01  0.147883D+01 -0.595289D+00 -0.136325D+01
      2   0.753490D+00  0.407075D-02  0.678261D+00  0.251535D+00  0.178218D+01
      3  -0.300214D+01  0.240275D-01 -0.259245D+01 -0.256653D+00  0.802487D+00
               236           237           238           239           240 
      1  -0.139875D+00 -0.258782D+01 -0.713523D+00  0.590527D-01 -0.350611D+01
      2   0.161632D+01  0.352507D+01  0.252341D+01  0.302025D+01  0.470603D+01
      3  -0.572610D+01 -0.433728D+00 -0.632092D+01 -0.131972D+02 -0.241228D+01
               241           242           243           244           245 
      1   0.214132D+01  0.820858D+00 -0.417987D+00  0.456245D+00 -0.485813D+00
      2  -0.187681D+01  0.205189D+01  0.146453D+01  0.510924D+00 -0.661228D+00
      3  -0.879304D+00 -0.237378D+01 -0.211188D+01  0.139685D+01 -0.205855D+01
               246           247           248           249           250 
      1   0.836562D+00 -0.694198D+00  0.379836D+00 -0.293819D+01  0.430181D+00
      2   0.656025D+00 -0.608446D+00 -0.135743D+01 -0.252817D+01 -0.138933D+01
      3  -0.394804D-02 -0.551410D+00  0.148097D+02  0.199215D+01 -0.521852D-01
               251           252           253           254           255 
      1   0.139236D+01 -0.884344D-01  0.141931D+01  0.582494D+00  0.126327D+01
      2   0.795797D+00 -0.232340D+00  0.511204D+01  0.119136D+00  0.909940D+01
      3   0.280670D+01  0.247878D-01 -0.127103D+02 -0.854449D+01 -0.155695D+01
               256           257           258           259           260 
      1   0.271518D+00  0.490765D+00 -0.676808D+00  0.196334D+01  0.878548D-01
      2   0.736669D+00  0.145866D+01  0.169970D+00  0.807086D+01 -0.171282D+01
      3  -0.658621D+01 -0.352540D+01 -0.195478D+01 -0.173127D+01 -0.242437D+01
               261           262           263           264           265 
      1   0.146943D+00 -0.810059D+00  0.138113D+00 -0.100576D+01  0.527725D+00
      2   0.183381D+01 -0.704968D+01  0.123212D+01 -0.225876D+01  0.491357D+01
      3   0.105416D+01  0.873996D+00  0.255237D+01  0.475555D+00 -0.438519D+01
               266           267           268           269           270 
      1  -0.176770D+01 -0.364027D+01  0.344132D+01 -0.976393D+00 -0.927122D+01
      2  -0.812288D+01 -0.114484D+02  0.852699D+01 -0.121171D+02 -0.327432D+02
      3   0.126482D+02  0.912458D+01 -0.609514D+01  0.117518D+02  0.150294D+02
               271           272           273           274           275 
      1   0.148639D+00 -0.136029D+00 -0.218698D+01 -0.203085D+00  0.736037D+00
      2   0.573322D+01  0.206899D+01 -0.544957D+01 -0.232186D+01  0.120423D+02
      3   0.187382D+01  0.697700D+01 -0.432904D+01 -0.430179D+01  0.256147D+02
               276           277           278           279 
      1  -0.402137D+01  0.142190D+01 -0.960390D+00  0.480440D+01
      2  -0.140263D+02  0.259809D+01 -0.135475D+02  0.180385D+02
      3  -0.149464D+02  0.291919D+01 -0.150469D+02  0.169081D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.737917D+02 -0.352870D+02 -0.115686D+02  0.810170D+02 -0.150043D+01
      2   0.397434D+02  0.227871D+02  0.871224D+01 -0.362487D+02  0.118286D+02
      3   0.340483D+02  0.125000D+02  0.285640D+01 -0.447684D+02 -0.103282D+02
      4  -0.109798D+02  0.165482D+02  0.310239D+01  0.103075D+02  0.236098D+02
      5  -0.873146D+01  0.954262D+00 -0.334047D+01 -0.744115D-02  0.197432D+01
      6  -0.959303D+00  0.518458D+01 -0.925365D-02 -0.200001D+01  0.109857D+00
                 6             7             8             9            10 
      1   0.102792D+02  0.529014D+01 -0.228449D+01 -0.967355D+01  0.901767D+02
      2  -0.147419D+01  0.284810D+00  0.407281D+01  0.190498D+00 -0.365371D+02
      3  -0.880497D+01 -0.557495D+01 -0.178832D+01  0.948305D+01 -0.536396D+02
      4   0.547562D+01  0.705380D+00  0.467756D+01  0.266770D+01 -0.284249D+02
      5  -0.262628D+01 -0.780248D+00  0.156074D+01 -0.332364D+01  0.315903D+01
      6  -0.596338D+00 -0.259764D+01  0.437822D+01 -0.247308D+01 -0.568775D+00
                11            12            13            14            15 
      1  -0.200702D+02  0.726330D+01 -0.818712D+02 -0.303846D+02 -0.125854D+02
      2   0.161554D+02  0.100058D-01  0.318580D+02  0.188081D+02  0.814752D+01
      3   0.391481D+01 -0.727331D+01  0.500132D+02  0.115765D+02  0.443792D+01
      4   0.155906D+02  0.236941D+01 -0.304520D+02 -0.178165D+02 -0.492560D+01
      5   0.353199D+01 -0.972046D+01 -0.377026D+01 -0.136788D+01  0.176041D+00
      6   0.187111D+01 -0.205288D+00 -0.165836D+01  0.499421D+01 -0.575729D+00
                16            17            18            19            20 
      1  -0.304357D+01 -0.683008D+01 -0.613090D+01  0.406838D+02  0.413212D+02
      2   0.320324D+01  0.437371D+01 -0.238273D+01 -0.219093D+02 -0.283588D+02
      3  -0.159674D+00  0.245637D+01  0.851362D+01 -0.187745D+02 -0.129624D+02
      4  -0.918854D+01 -0.114612D+01 -0.384555D+01  0.160637D+02 -0.199107D+02
      5   0.283142D+01 -0.158048D+01 -0.388601D+01  0.654343D+01  0.149475D+01
      6  -0.229604D+01  0.446670D+01 -0.130759D+01  0.178967D+01 -0.950010D+01
                21            22            23            24            25 
      1   0.144977D+02 -0.116860D+02  0.205934D+02  0.886949D+01  0.236108D+01
      2  -0.837564D+01  0.189215D+02 -0.226444D+02 -0.516666D+01  0.386981D+01
      3  -0.612204D+01 -0.723546D+01  0.205097D+01 -0.370283D+01 -0.623089D+01
      4  -0.103057D+01  0.108603D+02 -0.112311D+01  0.179447D+01  0.802218D+01
      5   0.339071D+00  0.356213D+01  0.239070D+01 -0.436635D+01  0.820804D+01
      6  -0.109134D+01  0.598425D+01 -0.983220D+01  0.408881D+01  0.459882D+00
                26            27            28            29            30 
      1   0.169616D+02 -0.482860D+01  0.184319D+02  0.621035D+01 -0.631965D+01
      2  -0.109608D+02 -0.475549D+01 -0.245678D+02 -0.239743D+01  0.220518D+01
      3  -0.600080D+01  0.958408D+01  0.613587D+01 -0.381291D+01  0.411447D+01
      4   0.536677D+00 -0.433416D+01  0.108669D+02  0.118876D+02  0.169602D+01
      5  -0.726056D+01 -0.481820D+01 -0.484167D+01  0.213692D+01  0.700238D+01
      6   0.794794D+01 -0.369170D+01 -0.428216D+01  0.323428D+01  0.124638D+01
                31            32            33            34            35 
      1  -0.218664D+02 -0.567423D+02 -0.124261D+02 -0.126275D+02 -0.121632D+02
      2   0.147926D+02  0.458689D+02  0.134600D+02 -0.238031D+00  0.927687D+01
      3   0.707388D+01  0.108735D+02 -0.103387D+01  0.128655D+02  0.288634D+01
      4  -0.360372D+02  0.166619D+02  0.392793D+01 -0.111750D+02  0.548515D+01
      5  -0.124162D+02  0.220181D+00 -0.675371D+00  0.214366D+02  0.465003D+01
      6  -0.366901D+01  0.155049D+02  0.988762D-02 -0.122479D+01  0.706189D+01
                36            37            38            39            40 
      1  -0.691785D+01 -0.969394D+01 -0.598242D+02 -0.129102D+02  0.269932D+02
      2  -0.629321D+01  0.378569D+01  0.424984D+02  0.523387D+01 -0.242660D+02
      3   0.132111D+02  0.590825D+01  0.173258D+02  0.767633D+01 -0.272724D+01
      4   0.195611D+01 -0.270194D+02  0.752895D+00 -0.458217D+01  0.216431D+02
      5   0.211911D+01 -0.182498D+01 -0.740519D+01  0.595288D+00  0.114368D+01
      6  -0.191346D+01 -0.705209D+01  0.808339D+01  0.763003D+01 -0.537050D+01
                41            42            43            44            45 
      1   0.328644D+02  0.801100D+01 -0.150641D+01 -0.450359D+01 -0.163431D+02
      2  -0.287681D+02 -0.859761D+01 -0.113326D+02 -0.437209D+01 -0.183441D+01
      3  -0.409633D+01  0.586609D+00  0.128390D+02  0.887568D+01  0.181775D+02
      4  -0.214326D+02 -0.601204D+01 -0.893872D+01 -0.733575D+01  0.448231D+01
      5  -0.421772D+01  0.505981D+01  0.119389D+02  0.421769D+01  0.551790D+01
      6  -0.131597D+02 -0.570547D+00  0.144008D+02  0.966839D+01  0.737848D+01
                46            47            48            49            50 
      1   0.159045D+02  0.509163D+02  0.150706D+02 -0.127494D+02  0.120250D+02
      2  -0.108736D+02 -0.329199D+02 -0.545800D+01  0.113440D+02 -0.162713D+02
      3  -0.503090D+01 -0.179964D+02 -0.961257D+01  0.140538D+01  0.424628D+01
      4   0.291170D+02 -0.134812D+02  0.320051D+00  0.174526D+02  0.952413D+01
      5  -0.384848D+01 -0.139725D+00  0.175040D+01 -0.221035D+00  0.228498D+01
      6   0.249973D+01 -0.110306D+02 -0.840646D+01  0.473192D+01 -0.820240D+01
                51            52            53            54            55 
      1   0.411553D+01  0.167500D+01  0.109712D+02 -0.175981D+02 -0.219382D+02
      2  -0.660172D+01  0.280223D+01 -0.173750D+02  0.557811D+01  0.347059D+01
      3   0.248619D+01 -0.447723D+01  0.640379D+01  0.120200D+02  0.184676D+02
      4   0.384602D+01  0.675948D+01 -0.150349D+01 -0.328442D+01 -0.496584D+01
      5   0.278967D+00  0.459725D+01 -0.141307D+01 -0.454407D+01  0.433582D+01
      6   0.495809D+01 -0.514064D+01  0.152412D+02  0.390866D+01  0.154365D+01
                56            57            58            59            60 
      1   0.379058D+02  0.744725D+01 -0.621643D+01  0.190083D+02  0.640035D+01
      2  -0.315240D+02 -0.387297D+01  0.621965D+01 -0.215384D+02 -0.688993D+01
      3  -0.638183D+01 -0.357428D+01 -0.321648D-02  0.253009D+01  0.489586D+00
      4  -0.507308D+02 -0.789874D+01  0.140045D+02  0.491504D+01 -0.880238D+00
      5  -0.422673D+01 -0.644759D+01  0.417397D+01 -0.862784D+00  0.520297D+01
      6  -0.646934D+01 -0.900361D+01  0.356960D+01 -0.828407D+01  0.593305D+01
                61            62            63            64            65 
      1  -0.154236D+01  0.117291D+02 -0.230194D+02  0.177094D+01  0.416474D+00
      2   0.203255D+01 -0.159325D+02  0.933462D+01  0.218067D+01 -0.251788D+01
      3  -0.490192D+00  0.420340D+01  0.136848D+02 -0.395160D+01  0.210140D+01
      4   0.158919D+01 -0.111435D+02  0.576165D+01 -0.919563D+01  0.972402D+01
      5  -0.249218D+00  0.101681D+02 -0.714524D+00  0.203981D+01 -0.980560D+00
      6  -0.548497D+01  0.185091D+02  0.770660D+00 -0.154292D+01  0.133277D+01
                66            67            68            69            70 
      1   0.629531D+00  0.363947D+01 -0.187647D+02 -0.856180D+00  0.273670D+01
      2  -0.297090D+00 -0.805778D+01  0.257927D+02  0.747370D+00 -0.214487D+01
      3  -0.332440D+00  0.441831D+01 -0.702801D+01  0.108810D+00 -0.591831D+00
      4  -0.947656D-01  0.134833D+02 -0.188581D+02 -0.763383D+00  0.832248D+00
      5   0.105834D+01 -0.700448D+00 -0.636545D+00 -0.242839D+01  0.603230D+00
      6  -0.972608D+00  0.152441D+01 -0.230879D+01  0.476288D+01 -0.200539D+01
                71            72            73            74            75 
      1  -0.296578D+01 -0.274621D+01  0.154579D+01 -0.498859D+01 -0.206307D+01
      2   0.303144D+01  0.315698D+01  0.486687D+01  0.101754D+02  0.139221D+01
      3  -0.656586D-01 -0.410760D+00 -0.641267D+01 -0.518676D+01  0.670865D+00
      4  -0.211822D+01 -0.125898D+01  0.215385D+02  0.201101D+02  0.535066D+01
      5  -0.192111D+00 -0.168410D+00  0.821434D+01  0.570000D+01  0.504725D+01
      6   0.216638D+01  0.983709D+00  0.725648D+01  0.729113D+01  0.483538D+01
                76            77            78            79            80 
      1  -0.946710D+01 -0.201254D+02 -0.649046D+01 -0.965693D+00 -0.444292D+01
      2   0.157025D+02  0.290149D+02  0.536742D+01  0.362096D+01  0.499261D+01
      3  -0.623543D+01 -0.888948D+01  0.112303D+01 -0.265527D+01 -0.549687D+00
      4   0.227588D+02  0.284159D+02  0.672752D+01  0.681819D+01  0.665574D+01
      5   0.627038D+01  0.711921D+01  0.493794D+01  0.255497D+01  0.375350D+01
      6   0.980493D+01  0.142022D+02  0.888379D+01  0.177879D+01  0.579254D+01
                81            82            83            84            85 
      1  -0.202028D+01 -0.477110D+01  0.919774D+01  0.113693D+01  0.817842D+01
      2   0.245815D+01  0.791706D+01 -0.135122D+02 -0.105222D+01 -0.105048D+02
      3  -0.437865D+00 -0.314596D+01  0.431447D+01 -0.847058D-01  0.232640D+01
      4   0.464260D+01 -0.777879D+01  0.143974D+02  0.210789D+01  0.954566D+01
      5   0.260931D+01 -0.260310D+01  0.366345D+01  0.271133D+01  0.252406D+01
      6   0.367622D+01  0.266474D+01 -0.347472D+01 -0.283229D+01 -0.358279D+01
                86            87            88            89            90 
      1  -0.432795D+02 -0.737754D+01  0.104163D+01 -0.637980D+01 -0.293771D+01
      2   0.568929D+02  0.660058D+01 -0.155970D+01  0.689851D+01  0.317633D+01
      3  -0.136134D+02  0.776962D+00  0.518072D+00 -0.518717D+00 -0.238629D+00
      4  -0.197145D+02 -0.295393D+01  0.151526D+01 -0.121518D+01 -0.261925D+01
      5  -0.614761D+01 -0.270139D+01  0.149590D+01 -0.266313D+01 -0.804913D+00
      6   0.151629D+02  0.933595D+01 -0.334492D+00  0.617125D+01  0.280564D+01
                91            92            93            94            95 
      1  -0.266035D+02 -0.163074D+02  0.115012D+02 -0.112456D+02 -0.372999D+01
      2   0.219080D+02  0.140435D+02 -0.609955D+01  0.114630D+02  0.357156D+01
      3   0.469543D+01  0.226392D+01 -0.540163D+01 -0.217390D+00  0.158429D+00
      4  -0.189512D+02 -0.151943D+02  0.328753D+01 -0.249014D+02  0.127748D+02
      5   0.147470D+02  0.275499D+01 -0.226613D+02 -0.157747D+00 -0.258624D+02
      6   0.617933D+00 -0.456846D+01 -0.580369D+00 -0.702990D+01  0.211475D+01
                96            97            98            99           100 
      1  -0.186745D+01  0.267749D+02  0.543936D+01 -0.173006D+02 -0.645453D+02
      2   0.592255D+01 -0.180251D+02  0.520409D+00  0.128981D+02  0.378153D+02
      3  -0.405509D+01 -0.874980D+01 -0.595977D+01  0.440244D+01  0.267300D+02
      4  -0.261662D+02  0.678781D+01 -0.196478D+02 -0.140981D+02  0.195970D+02
      5  -0.760668D+01 -0.378833D+02 -0.145791D+02 -0.207020D+01 -0.287991D+02
      6  -0.886328D+01 -0.624282D+01 -0.371885D+01 -0.642941D+01  0.428817D+01
               101           102           103           104           105 
      1   0.192366D+02 -0.265948D+02 -0.627646D+00  0.105282D+02 -0.253273D+01
      2  -0.138583D+02  0.811688D+01 -0.338651D+01 -0.763095D+01 -0.141619D+02
      3  -0.537827D+01  0.184779D+02  0.401415D+01 -0.289728D+01  0.166946D+02
      4   0.160466D+02 -0.387678D+01  0.208767D+02 -0.145848D+02  0.258933D+02
      5  -0.499983D+01  0.188734D+02 -0.740443D+01  0.263116D+02  0.105215D+02
      6   0.580693D+01 -0.114462D+02  0.861669D+01 -0.110456D+02 -0.413276D+01
               106           107           108           109           110 
      1  -0.190338D+02 -0.633853D+01  0.348446D+02 -0.825615D+02 -0.157687D+02
      2   0.858000D+01 -0.110758D+02 -0.162999D+02  0.300350D+02 -0.873711D+00
      3   0.104538D+02  0.174143D+02 -0.185447D+02  0.525265D+02  0.166424D+02
      4  -0.549576D+01  0.167676D+02  0.147621D+02 -0.299617D+02 -0.250160D+02
      5   0.127245D+02  0.188218D+02 -0.112507D+02  0.106779D+02  0.647952D+01
      6  -0.676617D+01 -0.886662D+01  0.137308D+02  0.153207D+01  0.211522D+01
               111           112           113           114           115 
      1   0.423612D+01 -0.178272D+02 -0.970203D+01  0.258496D+01 -0.344198D+02
      2  -0.148078D+00  0.327847D+01  0.528624D+01 -0.424763D+00  0.253974D+02
      3  -0.408804D+01  0.145488D+02  0.441579D+01 -0.216019D+01  0.902246D+01
      4   0.416888D+01  0.488394D+01 -0.119643D+02  0.173552D+01 -0.391730D+01
      5  -0.969172D+01  0.366219D+01  0.296672D+01 -0.141318D+01  0.280039D+02
      6  -0.255037D+01  0.391489D+01  0.107127D+01  0.250432D+01  0.877431D+01
               116           117           118           119           120 
      1  -0.289890D+01  0.224699D+02  0.105659D+02  0.810655D+01  0.533243D+01
      2   0.394081D+01 -0.648231D+01 -0.868409D+01 -0.573078D+01 -0.507656D+01
      3  -0.104192D+01 -0.159876D+02 -0.188182D+01 -0.237577D+01 -0.255868D+00
      4   0.118384D+01  0.546073D+01  0.144547D+02  0.114838D+02  0.438229D+01
      5   0.563899D+01 -0.394283D+01  0.137411D+02  0.536569D+01  0.156491D+02
      6  -0.128669D+01  0.101984D+01  0.550469D+01  0.281865D+01  0.306002D+01
               121           122           123           124           125 
      1   0.162799D+02  0.647767D+00 -0.101359D+01  0.718380D+01 -0.158439D+01
      2  -0.105517D+02 -0.618905D+00 -0.221741D+01 -0.813633D+01 -0.323288D+01
      3  -0.572823D+01 -0.288626D-01  0.323099D+01  0.952533D+00  0.481727D+01
      4   0.156442D+02  0.196395D+02  0.158381D+02  0.607014D+01  0.152929D+02
      5   0.105838D+02  0.161636D+02  0.151405D+02  0.223979D+02  0.142274D+02
      6   0.475692D+01  0.969933D+01  0.989966D+01  0.507183D+01  0.847479D+01
               126           127           128           129           130 
      1  -0.474032D+00 -0.641106D+01 -0.977343D+01  0.197250D+02 -0.220716D+01
      2  -0.102980D+02  0.215076D+00  0.598077D+01 -0.473053D+01  0.123249D+01
      3   0.107720D+02  0.619599D+01  0.379266D+01 -0.149945D+02  0.974676D+00
      4   0.143504D+02  0.168246D+00 -0.575933D+01  0.163250D+01  0.319815D+00
      5   0.287302D+02  0.508512D+01  0.384672D+01 -0.825326D+01 -0.663548D+00
      6   0.980473D+01 -0.427439D+01 -0.588415D+01  0.951469D+01 -0.130268D+01
               131           132           133           134           135 
      1  -0.127188D+02  0.112393D+02  0.127640D+02  0.134776D+02 -0.361303D+02
      2   0.757430D+01 -0.445548D+01 -0.495325D+01 -0.350270D+01 -0.109254D+01
      3   0.514447D+01 -0.678386D+01 -0.781078D+01 -0.997491D+01  0.372228D+02
      4  -0.743573D+01  0.657827D+01 -0.641928D+01  0.117798D+02 -0.143460D+02
      5   0.634282D+01 -0.103137D+02  0.492299D+01 -0.172956D+02  0.401952D+02
      6  -0.926145D+01  0.136370D+02  0.479768D+00  0.160173D+02 -0.278427D+02
               136           137           138           139           140 
      1   0.240158D+01 -0.812939D+01 -0.168865D+01 -0.666221D+01 -0.137988D+02
      2   0.155869D+01  0.631907D+01  0.235399D+01  0.139747D+01  0.273174D+02
      3  -0.396028D+01  0.181032D+01 -0.665333D+00  0.526474D+01 -0.135186D+02
      4  -0.483264D+01 -0.119992D+01  0.177675D+01  0.834022D+01 -0.294142D+02
      5  -0.232776D+01 -0.925071D-01 -0.348638D+01  0.314627D+00 -0.130680D+02
      6   0.175244D+01 -0.759011D+00  0.261174D+01 -0.550570D+00  0.394349D+01
               141           142           143           144           145 
      1  -0.422491D+01 -0.613956D+01 -0.412889D+01 -0.915818D+01  0.103379D+03
      2   0.114454D+02  0.193989D+01  0.139455D+02  0.105298D+02 -0.548486D+02
      3  -0.722053D+01  0.419967D+01 -0.981656D+01 -0.137161D+01 -0.485302D+02
      4  -0.118428D+02  0.930684D+01 -0.213514D+02 -0.108292D+02 -0.431362D+02
      5  -0.118230D+02 -0.758324D+00 -0.120328D+02 -0.163246D+02  0.387598D+02
      6   0.740175D+01  0.769505D+00  0.642413D+01  0.775176D+01 -0.840048D+01
               146           147           148           149           150 
      1  -0.150789D+02  0.152069D+02 -0.403907D+01  0.899378D+01 -0.346855D+00
      2   0.464325D+01 -0.106899D+02 -0.144466D+01 -0.309527D+01  0.631545D+00
      3   0.104356D+02 -0.451698D+01  0.548373D+01 -0.589851D+01 -0.284690D+00
      4   0.200047D+02 -0.830404D+01  0.143514D+02 -0.486086D+01  0.292153D+00
      5  -0.768453D+01  0.186123D+02 -0.754429D+00  0.184336D+01 -0.643575D+00
      6   0.449742D+01 -0.468380D+01  0.317797D+01 -0.210146D+00  0.207569D+01
               151           152           153           154           155 
      1   0.105682D+02 -0.910895D+00  0.741862D+01  0.187678D+03  0.316123D+02
      2  -0.885237D+01  0.231052D+01 -0.637917D+01 -0.852966D+02 -0.845278D+01
      3  -0.171584D+01 -0.139963D+01 -0.103945D+01 -0.102382D+03 -0.231595D+02
      4  -0.417471D+01  0.211883D+00 -0.605233D+01  0.507846D+02  0.462035D+02
      5   0.182840D+02 -0.494645D+01  0.104144D+02 -0.325915D+02 -0.878359D+01
      6  -0.399297D+01  0.294556D+01 -0.343186D+01 -0.145575D+01 -0.419611D+01
               156           157           158           159           160 
      1  -0.713608D+01  0.300101D+02  0.334595D+02  0.277539D+00 -0.942767D+01
      2   0.854979D+01 -0.597677D+01 -0.727915D+01  0.418235D+00  0.942203D+01
      3  -0.141372D+01 -0.240333D+02 -0.261804D+02 -0.695775D+00  0.564213D-02
      4  -0.607581D+01  0.528480D+02  0.366336D+02 -0.446317D+01 -0.539567D+01
      5   0.378923D+02 -0.539123D+01 -0.808296D+01  0.827274D+01  0.382015D+02
      6   0.342921D+01 -0.814710D+01 -0.478556D+01  0.624512D+01  0.458141D+01
               161           162           163           164           165 
      1  -0.117912D+01  0.221012D+02  0.472853D+02  0.919080D+01 -0.170583D+02
      2   0.118617D+01 -0.147460D+02 -0.318775D+02 -0.397601D+01  0.104463D+02
      3  -0.705727D-02 -0.735517D+01 -0.154079D+02 -0.521479D+01  0.661207D+01
      4  -0.328874D+01  0.911358D+01  0.139901D+02  0.760825D+01 -0.113955D+01
      5   0.905290D+01 -0.990119D+01 -0.311086D+02 -0.161484D+01  0.191332D+02
      6   0.569497D+01 -0.226547D+01 -0.543312D+01 -0.996570D+00  0.886319D+00
               166           167           168           169           170 
      1   0.141794D+02 -0.959328D+01  0.110006D+01  0.144475D+01  0.264055D+01
      2  -0.816005D+01  0.309800D+01 -0.119215D+01  0.197533D+01 -0.167862D+01
      3  -0.601939D+01  0.649527D+01  0.920899D-01 -0.342008D+01 -0.961930D+00
      4   0.450300D+01 -0.199814D+01 -0.878249D+01  0.134819D+01 -0.431654D+01
      5  -0.571650D+01 -0.831067D+01  0.907263D+00  0.126434D+02  0.103537D+01
      6  -0.214827D+01 -0.180937D+01  0.115075D+02 -0.109645D+01  0.991571D+01
               171           172           173           174           175 
      1  -0.306545D+02 -0.473561D+02 -0.466781D+01 -0.192827D+01 -0.123218D+02
      2  -0.113785D+02  0.287916D+02  0.275998D+01 -0.660251D+01  0.845163D+01
      3   0.420330D+02  0.185645D+02  0.190784D+01  0.853078D+01  0.387014D+01
      4  -0.956660D+00 -0.104282D+02 -0.458500D+01  0.109894D+01 -0.145067D+01
      5  -0.365602D+02  0.243104D+02  0.179626D+01 -0.150861D+02  0.564005D+01
      6  -0.218364D+01  0.460733D+01  0.318244D+01 -0.130271D+01  0.145817D+01
               176           177           178           179           180 
      1  -0.405538D+01 -0.224434D+00  0.135827D+02  0.182547D+01 -0.839847D+01
      2   0.265354D+01 -0.205536D+01 -0.126758D+02 -0.159483D+01  0.523155D+01
      3   0.140184D+01  0.227980D+01 -0.906925D+00 -0.230644D+00  0.316693D+01
      4  -0.490237D+00 -0.186469D+01  0.498927D+01  0.775277D+00 -0.190964D+01
      5  -0.153387D+01 -0.439239D+01 -0.129222D+02 -0.126356D+01  0.505402D+01
      6   0.110200D+01  0.204304D+01 -0.196831D+01  0.429999D+00  0.136450D+01
               181           182           183           184           185 
      1   0.302438D+02 -0.528552D+02 -0.731037D+01  0.404788D+02  0.247462D+02
      2  -0.148076D+02  0.420759D+02  0.359579D+01 -0.290365D+02 -0.244058D+02
      3  -0.154362D+02  0.107793D+02  0.371457D+01 -0.114423D+02 -0.340344D+00
      4  -0.123760D+02  0.349850D+02 -0.140599D+01  0.116156D+02 -0.329119D+02
      5  -0.887782D+01 -0.334054D+01  0.897833D+01 -0.892131D+00 -0.107699D+02
      6  -0.652912D+01  0.538860D+00  0.799359D+01 -0.698457D+01 -0.957436D+01
               186           187           188           189           190 
      1   0.649194D+01  0.524319D+01 -0.567838D+01  0.951767D+00  0.137577D+03
      2  -0.699883D+01 -0.125625D+02 -0.211821D+01 -0.756374D+01 -0.732766D+02
      3   0.506885D+00  0.731933D+01  0.779659D+01  0.661197D+01 -0.643004D+02
      4  -0.101452D+02 -0.104088D+02 -0.106633D+02  0.182095D+02  0.159081D+01
      5   0.546057D+01  0.276975D+02  0.153556D+02  0.993207D+01  0.229611D+01
      6   0.152683D+01  0.196680D+02  0.122246D+02  0.531016D+01 -0.303257D+01
               191           192           193           194           195 
      1   0.126690D+02  0.128240D+02  0.558978D+02 -0.440447D+02 -0.636309D+01
      2   0.472380D+00 -0.426143D+01 -0.219261D+02  0.440342D+02  0.111684D+02
      3  -0.131413D+02 -0.856257D+01 -0.339717D+02  0.104335D-01 -0.480530D+01
      4   0.143135D+02  0.135401D+01 -0.418292D+02  0.577010D+02  0.455702D+01
      5   0.271969D+01  0.501443D+01 -0.116376D+02  0.729946D+01  0.237323D+01
      6  -0.558801D-01  0.267489D+01 -0.326643D+01  0.845487D+01 -0.394827D+01
               196           197           198           199           200 
      1   0.157150D+02 -0.115941D+02  0.213958D+02 -0.112503D+03  0.209997D+02
      2  -0.856129D+01  0.107074D+02 -0.186369D+02  0.470271D+02 -0.210245D+02
      3  -0.715375D+01  0.886718D+00 -0.275891D+01  0.654760D+02  0.247634D-01
      4  -0.161842D+02  0.954042D+01  0.350393D+01  0.274834D+02 -0.303733D+02
      5   0.436443D+02  0.886516D+01  0.776365D+01 -0.533549D+01 -0.272477D+01
      6   0.151321D+01  0.537522D+01 -0.289563D+01  0.225873D+01 -0.472654D+01
               201           202           203           204           205 
      1  -0.611907D+01 -0.907213D+02  0.109369D+02 -0.306774D+01 -0.290494D+02
      2   0.113377D+01  0.548458D+02 -0.187341D+02 -0.440508D+00  0.166502D+02
      3   0.498529D+01  0.358755D+02  0.779716D+01  0.350824D+01  0.123993D+02
      4  -0.130046D+01  0.194956D+02 -0.183623D+02  0.328036D+01  0.866811D+01
      5   0.613075D+01 -0.257376D+01  0.193307D+01 -0.101083D+02  0.268851D+01
      6  -0.628008D+00  0.584574D+01 -0.691548D+01  0.590111D+01 -0.901591D+00
               206           207           208           209           210 
      1   0.105874D+02 -0.153020D+02  0.100171D+02  0.499401D+01 -0.168152D+01
      2  -0.104721D+02 -0.243672D+01 -0.796278D+01 -0.384075D+01 -0.993529D+00
      3  -0.115322D+00  0.177387D+02 -0.205432D+01 -0.115326D+01  0.267505D+01
      4  -0.976084D+00 -0.156604D+02  0.164537D+02  0.120398D+02 -0.243676D+00
      5  -0.199847D+02 -0.110273D+02  0.497757D+01 -0.134310D+01  0.205956D+02
      6   0.849607D+01 -0.111854D+01  0.723272D+00  0.216927D+01 -0.268016D+01
               211           212           213           214           215 
      1   0.173753D+02  0.318024D+01  0.442463D+01  0.172868D+01 -0.801850D+00
      2  -0.878835D+01 -0.807507D+00 -0.465058D+01 -0.322012D+01 -0.127860D+01
      3  -0.858695D+01 -0.237274D+01  0.225951D+00  0.149144D+01  0.208045D+01
      4   0.252676D+02  0.199939D+02  0.599162D+01  0.305619D+01  0.248033D+01
      5   0.562883D+01  0.451742D+01 -0.117509D+02  0.146923D+02  0.561812D+01
      6   0.589318D+00 -0.113045D+01  0.100508D+02  0.147613D+01  0.397201D+01
               216           217           218           219           220 
      1   0.428182D+01 -0.935138D+02 -0.579305D+01 -0.164146D+02 -0.234377D+02
      2  -0.446357D+01  0.529698D+02  0.201761D+00  0.972342D+01  0.986991D+01
      3   0.181757D+00  0.405441D+02  0.559128D+01  0.669114D+01  0.135678D+02
      4   0.667786D+01 -0.857436D+01  0.213496D+02 -0.353503D+01  0.412342D+00
      5   0.468048D+01 -0.159049D+02 -0.401503D+01  0.859247D+01 -0.959504D+01
      6   0.248836D+01  0.105022D+01  0.268409D+01 -0.339696D+01  0.999210D+00
               221           222           223           224           225 
      1   0.195840D+02 -0.158267D+02 -0.180063D+02 -0.970066D+01  0.145904D+02
      2  -0.116514D+02  0.118754D+02  0.789803D+01  0.802651D+01 -0.106320D+02
      3  -0.793267D+01  0.395131D+01  0.101082D+02  0.167415D+01 -0.395840D+01
      4   0.615848D+01 -0.134642D+02 -0.592792D+01 -0.828885D+01  0.341092D+02
      5  -0.135545D+02  0.559181D+02 -0.111520D+02  0.352432D+02  0.285249D+02
      6   0.681004D+01 -0.204598D+02  0.702048D+01 -0.140576D+02 -0.559703D+01
               226           227           228           229           230 
      1  -0.835138D+01  0.165659D+02  0.165492D+01  0.825753D+01 -0.510276D+02
      2   0.941141D+01 -0.182729D+02 -0.156229D+01 -0.905072D+01  0.647095D+02
      3  -0.106003D+01  0.170708D+01 -0.926305D-01  0.793188D+00 -0.136819D+02
      4  -0.216281D+01  0.512649D+01  0.757015D+00  0.281973D+01  0.129642D+02
      5  -0.794840D+00  0.131200D+01  0.974618D+00  0.278375D+00 -0.742392D+00
      6   0.816457D+00 -0.140792D+01 -0.262617D+01 -0.154573D+01  0.758337D+01
               231           232           233           234           235 
      1  -0.719438D+01  0.355398D+00 -0.671375D+01 -0.258100D+01  0.261257D+02
      2   0.691827D+01 -0.996247D+00  0.760375D+01  0.338969D+01 -0.389990D+01
      3   0.276112D+00  0.640849D+00 -0.889998D+00 -0.808695D+00 -0.222258D+02
      4   0.143569D+01 -0.159529D+00  0.261076D+01 -0.630113D+00  0.428061D+02
      5   0.147801D+01  0.188752D+01 -0.191879D+00  0.355498D+00  0.102244D+02
      6   0.827494D+01  0.267271D+00  0.509404D+01  0.217015D+01  0.617326D+01
               236           237           238           239           240 
      1   0.132452D+02  0.430191D+01  0.101024D+02  0.232069D+01  0.466834D+00
      2   0.353323D+01 -0.109473D+01  0.100945D+02  0.210182D+02  0.280934D+01
      3  -0.167784D+02 -0.320719D+01 -0.201969D+02 -0.233389D+02 -0.327618D+01
      4   0.373147D+02  0.946422D+01  0.445603D+02  0.545559D+02  0.119541D+02
      5   0.719877D+01  0.798509D+01  0.898395D+01  0.911408D+01  0.863810D+01
      6   0.522649D+01  0.488590D+01  0.758153D+01  0.947977D+01  0.792072D+01
               241           242           243           244           245 
      1   0.507252D+01  0.152341D+01 -0.130161D+00  0.125750D+02 -0.112139D+02
      2   0.109268D+01  0.297859D+01  0.188325D+01 -0.378116D+01  0.317518D+01
      3  -0.616520D+01 -0.450200D+01 -0.175309D+01 -0.879385D+01  0.803876D+01
      4   0.129736D+02  0.128221D+02  0.738662D+01 -0.187933D+02  0.149139D+02
      5   0.318198D+01  0.555926D+01  0.404910D+01 -0.213341D+01  0.116813D+01
      6   0.178745D+01  0.524672D+01  0.331915D+01  0.512083D+00 -0.466177D-01
               246           247           248           249           250 
      1  -0.674155D+00 -0.130483D+02 -0.276601D+01 -0.101707D+01 -0.606543D+00
      2   0.197358D+00  0.244548D+00  0.154129D+02  0.710359D+00  0.132098D-02
      3   0.476797D+00  0.128038D+02 -0.126469D+02  0.306708D+00  0.605222D+00
      4   0.545715D+00  0.259533D+02 -0.386462D+02 -0.377987D+01  0.254589D+01
      5   0.184982D+01  0.345386D+01 -0.622128D+01 -0.521737D+01  0.143471D+01
      6  -0.840888D+00 -0.131239D+01  0.300197D+01  0.456512D+01 -0.238488D+01
               251           252           253           254           255 
      1  -0.170739D+01 -0.147288D+01  0.200121D+03 -0.301812D+01  0.173366D+02
      2   0.215322D+01  0.218519D+01 -0.104943D+03 -0.374055D+00 -0.100854D+02
      3  -0.445827D+00 -0.712304D+00 -0.951774D+02  0.339217D+01 -0.725124D+01
      4  -0.532527D+01 -0.153294D+01 -0.202486D+02  0.156018D+02 -0.170624D+01
      5  -0.815014D+00 -0.875855D+00  0.194248D+02 -0.289028D+00  0.184706D+02
      6   0.206633D+01  0.131235D+01 -0.314936D+01  0.706178D+00 -0.229658D+01
               256           257           258           259           260 
      1   0.211308D+02  0.157025D+02  0.297920D+01  0.210983D+02  0.983232D+00
      2  -0.135032D+02 -0.802911D+01 -0.231222D+01 -0.125384D+02 -0.119719D+01
      3  -0.762757D+01 -0.767336D+01 -0.666982D+00 -0.855989D+01  0.213961D+00
      4   0.172692D+02  0.387644D+01  0.347871D+01 -0.200445D+01  0.379920D+01
      5   0.202861D+01  0.373889D+01  0.635596D+00  0.247485D+02 -0.320049D+01
      6   0.520803D+00 -0.537711D+00  0.165733D+01 -0.281603D+01  0.238046D+01
               261           262           263           264           265 
      1   0.174853D+02  0.783858D+01 -0.335401D+01 -0.109854D+02 -0.385619D+01
      2  -0.102974D+02 -0.447827D+01  0.246852D+01  0.476626D+01 -0.330460D-03
      3  -0.718792D+01 -0.336030D+01  0.885483D+00  0.621911D+01  0.385652D+01
      4  -0.438824D+01 -0.144660D+01 -0.131405D+01  0.420093D+01  0.161616D+02
      5   0.528743D+01 -0.106363D+02  0.291501D+01 -0.177617D+01  0.116794D+02
      6  -0.526757D+00  0.311108D+01 -0.626766D+00  0.190722D+01 -0.404445D+01
               266           267           268           269           270 
      1   0.984535D+00  0.237061D+01 -0.301497D+02  0.787088D+01  0.337439D+00
      2   0.325294D+01  0.130425D+01  0.166126D+02 -0.214937D+01 -0.614514D+01
      3  -0.423748D+01 -0.367486D+01  0.135371D+02 -0.572151D+01  0.580770D+01
      4  -0.200762D+02 -0.159510D+02  0.230466D+02 -0.206234D+02 -0.225649D+02
      5  -0.163527D+02 -0.222832D+02  0.293642D+02 -0.232759D+02 -0.632716D+02
      6   0.634707D+01  0.102979D+02 -0.851362D+01  0.101112D+02  0.174069D+02
               271           272           273           274           275 
      1  -0.443180D+01 -0.585304D+01  0.126201D+02 -0.899183D+01 -0.781219D+01
      2   0.212327D+01  0.504185D+01 -0.620249D+01  0.179109D+01  0.142796D+02
      3   0.230853D+01  0.811192D+00 -0.641761D+01  0.720074D+01 -0.646745D+01
      4   0.231494D+01 -0.673240D+01  0.203372D+01  0.201790D+02 -0.397813D+02
      5   0.707140D+01  0.305687D+01 -0.871784D+01 -0.802617D+01  0.235109D+02
      6  -0.202197D+01 -0.300002D+01  0.487772D+01  0.478519D+01 -0.140696D+02
               276           277           278           279 
      1   0.816734D+01  0.217164D+02  0.316023D+01 -0.107757D+02
      2  -0.861392D+01 -0.975220D+01 -0.471488D+01  0.338896D+01
      3   0.446581D+00 -0.119642D+02  0.155465D+01  0.738674D+01
      4   0.244374D+02 -0.156447D+02  0.243243D+02 -0.247733D+02
      5  -0.266514D+02  0.144480D+02 -0.251192D+02  0.334997D+02
      6   0.137404D+02 -0.632829D+01  0.133622D+02 -0.150701D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.227875D+01      0.579200D+01      0.193200D+02
   x          0.214228D+01      0.544512D+01      0.181630D+02
   y          0.125065D+00      0.317884D+00      0.106035D+01
   z         -0.766618D+00     -0.194855D+01     -0.649966D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182326D+03      0.270180D+02      0.300616D+02
   aniso      0.147518D+03      0.218599D+02      0.243225D+02
   xx         0.274092D+03      0.406162D+02      0.451916D+02
   yx         0.613465D+01      0.909062D+00      0.101147D+01
   yy         0.161835D+03      0.239815D+02      0.266830D+02
   zx         0.139700D+02      0.207014D+01      0.230334D+01
   zy         0.779260D+01      0.115474D+01      0.128483D+01
   zz         0.111053D+03      0.164563D+02      0.183101D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.193556D+03      0.286820D+02      0.319130D+02
   aniso      0.156761D+03      0.232296D+02      0.258464D+02
   xx         0.290887D+03      0.431050D+02      0.479607D+02
   yx         0.795368D+01      0.117861D+01      0.131138D+01
   yy         0.171705D+03      0.254441D+02      0.283103D+02
   zx         0.152488D+02      0.225964D+01      0.251418D+01
   zy         0.845508D+01      0.125291D+01      0.139405D+01
   zz         0.118075D+03      0.174969D+02      0.194679D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.12685746         -1.31864198          1.24471617
     6          0.28961202          1.18640270          2.20845754
     6         -1.03045716         -1.73988336         -1.12581829
     6         -2.01048435          0.21538267         -2.53535818
     6         -1.83584601          2.70109470         -1.55441997
     6         -0.73006870          3.17223862          0.73533207
     6          1.13518463         -3.31629389          2.71589218
     1         -1.14868957         -3.66645946         -1.80418757
     1         -2.59941070          4.25103246         -2.65278720
     1         -0.62565157          5.08788170          1.44896937
     6         -3.16271156         -0.15736282         -5.12498158
     6         -4.31525535         -2.77973976         -5.58603279
     6         -1.29571400          0.38002939         -7.28501530
     1         -4.65695844          1.24137457         -5.37682931
     1         -5.70687771         -3.21333965         -4.13034074
     1         -2.88109261         -4.26021749         -5.57352635
     1         -5.23822744         -2.81484303         -7.42436782
     8         -1.96739865          0.97098024         -9.36568904
     8          1.17929421          0.05245810         -6.75797406
     1          1.38111168         -0.30869714         -4.97097078
     6          2.24205273         -2.86040468          4.99913785
     6          2.40344850         -0.36307919          5.95212358
     6          1.44314596          1.62490745          4.58176569
     8          3.54546113         -0.15948329          8.23878017
     6          3.78285036          2.28111217          9.32026527
     1          1.01785064         -5.23028163          2.00022694
     1          3.01765608         -4.37383521          6.13294247
     1          1.54494658          3.54218531          5.27438836
     1          4.73840661          2.01479593         11.11879294
     1          1.93044529          3.13882722          9.64364443
     1          4.91195261          3.52534945          8.11673721

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.227875D+01      0.579200D+01      0.193200D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.227875D+01      0.579200D+01      0.193200D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.182326D+03      0.270180D+02      0.300616D+02
   aniso      0.147518D+03      0.218599D+02      0.243225D+02
   xx         0.137999D+03      0.204493D+02      0.227529D+02
   yx        -0.503962D+01     -0.746794D+00     -0.830920D+00
   yy         0.162171D+03      0.240313D+02      0.267384D+02
   zx         0.629524D+02      0.932859D+01      0.103795D+02
   zy        -0.914512D+00     -0.135517D+00     -0.150783D+00
   zz         0.246810D+03      0.365734D+02      0.406934D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.193556D+03      0.286820D+02      0.319130D+02
   aniso      0.156761D+03      0.232296D+02      0.258464D+02
   xx         0.146865D+03      0.217631D+02      0.242147D+02
   yx        -0.601687D+01     -0.891608D+00     -0.992048D+00
   yy         0.171970D+03      0.254833D+02      0.283540D+02
   zx         0.670530D+02      0.993624D+01      0.110556D+02
   zy        -0.228033D+01     -0.337911D+00     -0.375976D+00
   zz         0.261832D+03      0.387995D+02      0.431703D+02

 ----------------------------------------------------------------------
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 Just remember, when you're over the hill, you begin to pick up speed.
 -- Charles Schulz
 Job cpu time:       0 days 11 hours 57 minutes  5.6 seconds.
 Elapsed time:       0 days  1 hours 29 minutes 54.9 seconds.
 File lengths (MBytes):  RWF=    649 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Tue Aug 17 19:42:54 2021.
